490	474	944	0:SP3_SP-NON_SP3	C	C[5,5]	I	4:1:1:1:	4:4:2:4:	4:	C[5,5]-4:H-1:H-1:I-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)2(I)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(CHHI)	I(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]O[5])(H)2(I)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(CHHI){1|O<1>,1|O<2>,5|H<1>}	I(CC[5,5]HH)	114.1120	0.000	2	114.1120	0.000	2	114.1120	0.000	2	114.1120	0.000	2	114.1120	0.000	2	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5,6]	I	4:1:1:1:	2:4:4:4:	4:	C[5,6]-4:H-1:H-1:I-1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(H)2(I)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(CHHI)	I(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]C[6])(H)2(I)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(CHHI){1|H<1>,1|O<2>,4|C<4>}	I(CC[5,6]HH)	113.1090	0.000	1	113.1090	0.000	1	113.1090	0.000	1	113.1090	0.000	1	114.6920	1.678	4	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5,6]	I	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:I-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI)	I(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	I(CC[5,6]HH)	116.2700	0.000	1	115.5525	1.030	2	115.2197	0.847	3	115.2197	0.847	3	114.6920	1.678	4	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5,6]	I	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:I-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI)	I(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI){2|C<3>,2|C<4>,2|H<1>}	I(CC[5,6]HH)	114.8350	0.000	1	115.5525	1.030	2	115.2197	0.847	3	115.2197	0.847	3	114.6920	1.678	4	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5,6]	I	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:I-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHHI)	I(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHHI){1|C<4>,1|O<1>,6|H<1>}	I(CC[5,6]HH)	114.5540	0.000	1	114.5540	0.000	1	115.2197	0.847	3	115.2197	0.847	3	114.6920	1.678	4	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:I-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(H)2(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHI)	I(CC[5]HH)	C(C[5]C[5,6a]C[6a]C[5])(H)2(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHI){1|S<4>,3|H<1>,4|C<3>}	I(CC[5]HH)	112.0740	0.000	1	112.0740	0.000	1	112.0740	0.000	1	112.0740	0.000	1	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	3:4:2:4:	4:	C[5]-4:H-1:H-1:I-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(H)2(I)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]P[5])(CHHI)	I(CC[5]HH)	C(C[5]C[6a]C[5]O[5])(H)2(I)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]P[5])(CHHI){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	I(CC[5]HH)	114.0430	0.000	1	114.0430	0.000	1	114.0430	0.000	1	114.0430	0.000	1	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:I-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)2(I)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CHHI)	I(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)2(I)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CHHI){2|H<1>,3|C<3>}	I(CC[5]HH)	113.9520	0.000	1	113.9520	0.000	1	113.2365	1.024	2	113.2365	1.024	2	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:I-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)2(I)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(CHHI)	I(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)2(I)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(CHHI){1|O<1>,2|H<1>,3|C<3>}	I(CC[5]HH)	112.5210	0.000	1	112.5210	0.000	1	113.2365	1.024	2	113.2365	1.024	2	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)2(I)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(CHHI)(H)	I(CC[5]HH)	C(C[5]C[5]2H)(H)2(I)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(CHHI)(H){1|I<1>,4|C<3>}	I(CC[5]HH)	113.0810	0.000	1	113.0810	0.000	1	113.0810	0.000	1	111.4093	2.115	3	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:I-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(H)2(I)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H)	I(CC[5]HH)	C(C[5]N[5,6]C[5]H)(H)2(I)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	I(CC[5]HH)	110.4340	0.000	1	110.5735	0.039	2	110.5735	0.039	2	111.4093	2.115	3	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:I-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(H)2(I)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H)	I(CC[5]HH)	C(C[5]N[5,6]C[5]H)(H)2(I)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H){1|O<1>,2|H<1>,3|C<4>}	I(CC[5]HH)	110.7130	0.000	1	110.5735	0.039	2	110.5735	0.039	2	111.4093	2.115	3	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:I-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)2(I)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHI)(CH3)	I(CC[5]HH)	C(C[5]C[5]N[5]C)(H)2(I)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHI)(CH3){1|O<1>,2|C<3>,2|H<1>}	I(CC[5]HH)	112.8940	0.000	1	112.8940	0.000	1	112.8940	0.000	1	112.8940	0.000	1	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(H)2(I)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H)	I(CC[5]HH)	C(C[5]C[5,5]O[5]H)(H)2(I)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H){1|O<1>,2|C<3>,2|C<4>}	I(CC[5]HH)	112.6165	1.047	2	112.1117	1.313	3	112.1117	1.313	3	111.6168	3.578	12	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(H)2(I)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H)	I(CC[5]HH)	C(C[5]C[5,5]O[5]H)(H)2(I)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H){1|O<1>,2|C<4>,3|H<1>}	I(CC[5]HH)	111.1020	0.000	1	112.1117	1.313	3	112.1117	1.313	3	111.6168	3.578	12	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(H)2(I)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHI)(H)	I(CC[5]HH)	C(C[5]C[5,6]O[5]H)(H)2(I)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHI)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	I(CC[5]HH)	115.5390	0.000	1	115.5390	0.000	1	115.5390	0.000	1	111.6168	3.578	12	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)2(I)	C[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(CHHI)(H)	I(CC[5]HH)	C(C[5]C[5]O[5]H)(H)2(I)	C[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(CHHI)(H){1|H<1>,3|C<4>}	I(CC[5]HH)	111.4120	1.193	4	111.4120	1.423	4	110.9410	2.422	8	111.6168	3.578	12	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)2(I)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHI)(H)	I(CC[5]HH)	C(C[5]C[5]O[5]H)(H)2(I)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHI)(H){1|C<4>,1|O<2>,2|H<1>}	I(CC[5]HH)	112.2600	0.000	1	112.2600	0.000	1	110.9410	2.422	8	111.6168	3.578	12	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)2(I)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(H)	I(CC[5]HH)	C(C[5]C[5]O[5]H)(H)2(I)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(H){1|C<3>,1|O<1>,1|O<2>}	I(CC[5]HH)	111.9140	0.000	1	111.9140	0.000	1	110.9410	2.422	8	111.6168	3.578	12	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)2(I)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHI)(H)	I(CC[5]HH)	C(C[5]C[5]O[5]H)(H)2(I)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHI)(H){1|H<1>,1|O<2>,2|C<4>}	I(CC[5]HH)	108.4100	0.000	1	108.4100	0.000	1	110.9410	2.422	8	111.6168	3.578	12	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)2(I)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHI)(H)	I(CC[5]HH)	C(C[5]C[5]O[5]H)(H)2(I)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHI)(H){1|H<1>,1|O<2>,2|C<3>}	I(CC[5]HH)	109.2960	0.000	1	109.2960	0.000	1	110.9410	2.422	8	111.6168	3.578	12	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:I-1:I-1:	C[5]-4:N[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(H)(I)2	C[5](C[5]N[5]HH)(N[5]C[5])(CHII)(OH)	I(CC[5]HI)	C(C[5]C[5]N[5]O)(H)(I)2	C[5](C[5]N[5]HH)(N[5]C[5])(CHII)(OH){1|C<3>,1|S<4>}	I(CC[5]HI)	111.7240	0.552	2	111.7240	0.304	2	111.7240	0.304	2	111.7240	0.304	2	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)2(I)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(CHHI)	I(CC[5]HH)	C(C[5]C[5]O[5]C)(H)2(I)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(CHHI){1|O<1>,2|H<1>}	I(CC[5]HH)	115.8200	0.000	1	115.8200	0.000	1	114.7015	2.502	2	114.7015	2.502	2	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)2(I)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(CH3)	I(CC[5]HH)	C(C[5]C[5]O[5]C)(H)2(I)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(CH3){1|O<1>,2|H<1>}	I(CC[5]HH)	113.5830	0.000	1	113.5830	0.000	1	114.7015	2.502	2	114.7015	2.502	2	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5,5]H)(H)2(I)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]N[5])(CHHI)(H)	I(CC[5]HH)	C(C[5]C[5,5]N[5,5]H)(H)2(I)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]N[5])(CHHI)(H){1|O<2>,3|C<4>,3|H<1>}	I(CC[5]HH)	112.0960	0.000	1	112.0960	0.000	1	112.0960	0.000	1	112.4859	4.545	12	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)2(I)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHI)(H)	I(CC[5]HH)	C(C[5]C[5]N[5]H)(H)2(I)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHI)(H){1|C<2>,1|H<1>,2|C<3>}	I(CC[5]HH)	112.6790	2.520	8	112.6790	6.349	8	112.5214	4.983	11	112.4859	4.545	12	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)2(I)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H)	I(CC[5]HH)	C(C[5]C[5]N[5]H)(H)2(I)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H){1|C<3>,3|H<1>}	I(CC[5]HH)	111.8780	0.000	1	111.2885	0.695	2	112.5214	4.983	11	112.4859	4.545	12	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)2(I)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H)	I(CC[5]HH)	C(C[5]C[5]N[5]H)(H)2(I)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H){4|H<1>}	I(CC[5]HH)	110.6990	0.000	1	111.2885	0.695	2	112.5214	4.983	11	112.4859	4.545	12	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)2(I)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CHHI)(H)	I(CC[5]HH)	C(C[5]C[5]N[5]H)(H)2(I)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CHHI)(H){1|C<4>}	I(CC[5]HH)	113.7260	0.000	1	113.7260	0.000	1	112.5214	4.983	11	112.4859	4.545	12	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)2(I)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CHHI)(COO)	I(CC[5]HH)	C(C[5]C[5]2C)(H)2(I)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CHHI)(COO){1|S<4>,2|H<1>}	I(CC[5]HH)	112.4330	0.000	1	112.4330	0.000	1	112.4330	0.000	1	112.4330	0.000	1	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)2(I)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CHHI)(CH3)	I(CC[5]HH)	C(C[5]C[5]2C)(H)2(I)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CHHI)(CH3){3|C<3>}	I(CC[5]HH)	115.2260	0.000	1	115.2260	0.000	1	115.2260	0.000	1	115.2260	0.000	1	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:I-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)(I)	C[5](C[5]C[5]HH)(CC[6a]HI)(O[5]C[5])(H)	I(CC[6a]C[5]H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)(I)	C[5](C[5]C[5]HH)(CC[6a]HI)(O[5]C[5])(H){1|O<1>,2|H<1>}	I(CC[6a]C[5]H)	109.2310	0.016	2	109.2310	0.000	2	109.2310	0.000	2	109.2310	0.000	2	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:I-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)(I)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CCHI)(H)	I(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)(I)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CCHI)(H){2|C<3>,3|C<4>}	I(CC[5]CH)	111.7340	0.000	1	111.7340	0.000	1	111.7340	0.000	1	111.7340	0.000	1	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:I-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC3)(H)(I)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHI)(H)	I(CC[5]CH)	C(C[5]C[5]O[5]H)(CC3)(H)(I)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHI)(H){1|O<1>,2|H<1>}	I(CC[5]CH)	107.8580	0.000	1	107.8580	0.000	1	107.8580	0.000	1	107.8580	0.000	1	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:I-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)(I)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHI)(H)	I(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)(I)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHI)(H){1|C<3>,3|H<1>}	I(CC[5]CH)	107.7240	0.000	1	107.7240	0.000	1	111.8865	9.910	4	111.8865	9.910	4	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:I-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(H)(I)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHI)(H)	I(CC[5]CH)	C(C[5]C[5]N[5]H)(CH3)(H)(I)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHI)(H){4|H<1>}	I(CC[5]CH)	113.1570	0.000	1	113.1570	0.000	1	111.8865	9.910	4	111.8865	9.910	4	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:I-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHN)(H)(I)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHI)(H)	I(CC[5]CH)	C(C[5]C[5]N[5]H)(CHHN)(H)(I)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHI)(H){1|O<1>}	I(CC[5]CH)	113.3325	2.570	2	113.3325	6.607	2	111.8865	9.910	4	111.8865	9.910	4	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:I-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)(H)(I)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCHI)(CH3)	I(CC[5]CH)	C(C[5]C[5]N[5]C)(CH3)(H)(I)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCHI)(CH3){1|O<1>}	I(CC[5]CH)	110.8120	0.000	1	110.8120	0.000	1	110.8120	0.000	1	110.8120	0.000	1	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:I-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(H)(I)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHI)(H)	I(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CH3)(H)(I)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHI)(H){2|C<4>,5|H<1>}	I(CC[5]CH)	111.1105	3.200	2	111.1105	10.238	2	111.1105	10.238	2	111.1105	10.238	2	111.7578	5.225	52	112.0413	5.480	58
490	474	944	0:SP3_SP-NON_SP3	C	C[5]	I	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:I-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)2(I)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCCI)(H)	I(CC[5]CC)	C(C[5]C[5]O[5]H)(CH3)2(I)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCCI)(H){1|C<3>,1|C<4>,1|O<1>}	I(CC[5]CC)	107.7717	1.390	3	107.7717	1.931	3	107.7717	1.931	3	107.7717	1.931	3	111.7578	5.225	52	112.0413	5.480	58
490	474	945	0:SP3_SP3_SP3	C	C[5]	P	4:3:1:1:	4:3:4:1:	3:3:4:	C[5]-4:P-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[5]C[5]N[5]H)(PC[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHP)(H)	P(C[6a]C[6a]2)2(CC[5]HH)	C(C[5]C[5]N[5]H)(PC[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHP)(H){4|H<1>}	P(C[6a]C[6a]2)2(CC[5]HH)	113.3610	0.000	1	113.3610	0.000	1	113.3610	0.000	1	113.3610	0.000	1	113.3610	0.000	1	113.3610	0.000	1
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[3x5,6,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:C-4:	C-4:	C(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C[3x5,6])(H)3	C[3x5,6,6](C[3x5,6]P[4,5,5,6,6]C[5,6]C)(C[5,5,3x6]P[4,5,3x6]C[5,6]C)(C[5,5,6,6]C[4,5,5,6,6]C[5]C)(CH3)	H(CC[3x5,6,6]HH)	C(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C[3x5,6])(H)3	C[3x5,6,6](C[3x5,6]P[4,5,5,6,6]C[5,6]C)(C[5,5,3x6]P[4,5,3x6]C[5,6]C)(C[5,5,6,6]C[4,5,5,6,6]C[5]C)(CH3){1|C<3>,1|I<1>,5|C<4>}	H(CC[3x5,6,6]HH)	109.4103	0.143	3	109.4391	0.007	9	109.4391	0.007	9	109.4391	0.007	9	109.2060	0.274	11	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[3x5,6,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:C-4:	C-4:	C(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C[3x5,6])(H)3	C[3x5,6,6](C[3x5,6]P[4,5,5,6,6]C[5,6]C)(C[5,5,3x6]P[4,5,3x6]C[5,6]C)(C[5,5,6,6]C[4,5,5,6,6]C[5]C)(CH3)	H(CC[3x5,6,6]HH)	C(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C[3x5,6])(H)3	C[3x5,6,6](C[3x5,6]P[4,5,5,6,6]C[5,6]C)(C[5,5,3x6]P[4,5,3x6]C[5,6]C)(C[5,5,6,6]C[4,5,5,6,6]C[5]C)(CH3){1|Cl<1>,1|C<3>,5|C<4>}	H(CC[3x5,6,6]HH)	109.4460	0.055	3	109.4391	0.007	9	109.4391	0.007	9	109.4391	0.007	9	109.2060	0.274	11	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[3x5,6,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:C-4:	C-4:	C(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C[3x5,6])(H)3	C[3x5,6,6](C[3x5,6]P[4,5,5,6,6]C[5,6]C)(C[5,5,3x6]P[4,5,3x6]C[5,6]C)(C[5,5,6,6]C[4,5,5,6,6]C[5]C)(CH3)	H(CC[3x5,6,6]HH)	C(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C[3x5,6])(H)3	C[3x5,6,6](C[3x5,6]P[4,5,5,6,6]C[5,6]C)(C[5,5,3x6]P[4,5,3x6]C[5,6]C)(C[5,5,6,6]C[4,5,5,6,6]C[5]C)(CH3){1|Ga<4>,1|C<3>,5|C<4>}	H(CC[3x5,6,6]HH)	109.4610	0.045	3	109.4391	0.007	9	109.4391	0.007	9	109.4391	0.007	9	109.2060	0.274	11	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x5,6,6]-4:C-4:H-1:H-1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-3:C-4:	C-4:	C(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(CCHH)(H)2	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]O)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(CCHH)	H(CC[3x5,6,6]CH)	C(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(CCHH)(H)2	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]O)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(CCHH){3|C<4>,5|H<1>}	H(CC[3x5,6,6]CH)	108.1570	0.018	2	108.1570	0.000	2	108.1570	0.000	2	108.1570	0.000	2	109.2060	0.274	11	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[3x5,6]-4:H-1:H-1:H-1:	P[4,5,5,6,6]-3:C[3x5,6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C[5,6])(H)3	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3)	H(CC[3x5,6]HH)	C(C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C[5,6])(H)3	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|I<1>,5|C<4>}	H(CC[3x5,6]HH)	109.6580	0.172	3	109.5892	0.024	5	109.5892	0.024	5	109.5892	0.024	5	109.6223	0.911	61	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[3x5,6]-4:H-1:H-1:H-1:	P[4,5,5,6,6]-3:C[3x5,6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C[5,6])(H)3	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3)	H(CC[3x5,6]HH)	C(C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C[5,6])(H)3	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3){1|Cl<1>,1|C<3>,5|C<4>}	H(CC[3x5,6]HH)	109.4860	0.034	2	109.5892	0.024	5	109.5892	0.024	5	109.5892	0.024	5	109.6223	0.911	61	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[3x5,6]-4:H-1:H-1:H-1:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:C-4:	C-4:	C(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])(H)3	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(CH3)	H(CC[3x5,6]HH)	C(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])(H)3	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(CH3){1|Mo<6>,1|C<3>,3|C<4>}	H(CC[3x5,6]HH)	109.4797	0.016	3	109.4797	0.000	3	109.4797	0.000	3	109.4762	0.001	9	109.6223	0.911	61	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[3x5,6]-4:H-1:H-1:H-1:	C[4,3x5]-4:C[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[3x5,6]C[4,3x5]C[5,5,6]C[5,6])(H)3	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(C[5,5,6]C[4,5,5,6]CH)(C[5,6]C[5,6]C)(CH3)	H(CC[3x5,6]HH)	C(C[3x5,6]C[4,3x5]C[5,5,6]C[5,6])(H)3	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(C[5,5,6]C[4,5,5,6]CH)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|O<2>,1|W<6>,2|C<4>}	H(CC[3x5,6]HH)	109.4853	0.044	3	109.4853	0.002	3	109.4853	0.002	3	109.4762	0.001	9	109.6223	0.911	61	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[3x5,6]-4:H-1:H-1:H-1:	C[4,3x5]-4:P[5,5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[3x5,6]C[4,3x5]P[5,5,6]C[5,6])(H)3	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(P[5,5,6]P[4,5,5,6]HW)(C[5,6]C[5,6]C)(CH3)	H(CC[3x5,6]HH)	C(C[3x5,6]C[4,3x5]P[5,5,6]C[5,6])(H)3	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(P[5,5,6]P[4,5,5,6]HW)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|W<6>,2|C<4>}	H(CC[3x5,6]HH)	109.4637	0.017	3	109.4637	0.000	3	109.4637	0.000	3	109.4762	0.001	9	109.6223	0.911	61	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[3x5,6]-4:H-1:H-1:H-1:	C[3x5,6,6]-4:C[3x5,6]-4:C[5,5]-4:C-4:	C-4:	C(C[3x5,6]C[3x5,6,6]C[3x5,6]C[5,5])(H)3	C[3x5,6](C[3x5,6,6]C[5,5,6,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]O[5,6]C[5])(C[5,5]C[5,5,6]HO)(CH3)	H(CC[3x5,6]HH)	C(C[3x5,6]C[3x5,6,6]C[3x5,6]C[5,5])(H)3	C[3x5,6](C[3x5,6,6]C[5,5,6,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]O[5,6]C[5])(C[5,5]C[5,5,6]HO)(CH3){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(CC[3x5,6]HH)	109.4750	0.025	3	109.4750	0.001	3	109.4750	0.001	3	110.0109	1.007	34	109.6223	0.911	61	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[3x5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-4:C-4:	C-4:	C(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])(H)3	C[3x5,6](C[3x5,6]C[5,5,6,6]C[3,5,6]H)(C[5,5,6,6]C[3,5,6]C[5,6,6]H)(C[5,5,6]C[5,5,6]C[5,5]H)(CH3)	H(CC[3x5,6]HH)	C(C[3x5,6]C[5,5,6,6]C[3x5,6]C[5,5,6])(H)3	C[3x5,6](C[3x5,6]C[5,5,6,6]C[3,5,6]H)(C[5,5,6,6]C[3,5,6]C[5,6,6]H)(C[5,5,6]C[5,5,6]C[5,5]H)(CH3){1|O<1>,2|O<2>,3|H<1>,4|C<4>}	H(CC[3x5,6]HH)	109.4553	0.060	6	109.4553	0.004	6	109.4553	0.004	6	110.0109	1.007	34	109.6223	0.911	61	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[3x5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:C-4:	C-4:	C(C[3x5,6]C[5,5,6]2C[5,5])(H)3	C[3x5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5]O)(C[5,5]C[3x5,6]CO)(CH3)	H(CC[3x5,6]HH)	C(C[3x5,6]C[5,5,6]2C[5,5])(H)3	C[3x5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5]O)(C[5,5]C[3x5,6]CO)(CH3){2|C<4>,5|H<1>}	H(CC[3x5,6]HH)	109.4994	0.075	5	109.4994	0.006	5	110.2086	1.230	25	110.0109	1.007	34	109.6223	0.911	61	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[3x5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:C-4:	C-4:	C(C[3x5,6]C[5,5,6]2C[5,5])(H)3	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]C)(C[5,5]P[5,5,6]HH)(CH3)	H(CC[3x5,6]HH)	C(C[3x5,6]C[5,5,6]2C[5,5])(H)3	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]C)(C[5,5]P[5,5,6]HH)(CH3){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	H(CC[3x5,6]HH)	111.2003	1.418	6	110.3859	1.387	20	110.2086	1.230	25	110.0109	1.007	34	109.6223	0.911	61	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[3x5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:C-4:	C-4:	C(C[3x5,6]C[5,5,6]2C[5,5])(H)3	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]C)(C[5,5]P[5,5,6]HH)(CH3)	H(CC[3x5,6]HH)	C(C[3x5,6]C[5,5,6]2C[5,5])(H)3	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]C)(C[5,5]P[5,5,6]HH)(CH3){1|C<4>,1|S<1>,5|H<1>}	H(CC[3x5,6]HH)	110.0368	0.904	14	110.3859	1.387	20	110.2086	1.230	25	110.0109	1.007	34	109.6223	0.911	61	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[3x5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:C-4:	C-4:	C(C[3x5,6]C[5,5,6]2O[5,5])(OH)(H)2	C[3x5,6](C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]O[5,6]C[5]H)(O[5,5]C[5,5,6,6])(CHHO)	H(CC[3x5,6]HO)	C(C[3x5,6]C[5,5,6]2O[5,5])(OH)(H)2	C[3x5,6](C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]O[5,6]C[5]H)(O[5,5]C[5,5,6,6])(CHHO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[3x5,6]HO)	109.2140	0.229	3	109.2140	0.052	3	109.2140	0.052	3	109.2140	0.052	3	109.6223	0.911	61	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[3x5,6]-4:C-3:H-1:H-1:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:C-4:	C-4:	C(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])(CClC)(H)2	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]C)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]O[5,6]O)(CCHH)	H(CC[3x5,6]CH)	C(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])(CClC)(H)2	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]C)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]O[5,6]O)(CCHH){5|H<1>}	H(CC[3x5,6]CH)	108.6295	0.028	2	108.6295	0.001	2	108.6295	0.001	2	108.6295	0.001	2	109.6223	0.911	61	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[3x5,6]-4:C-4:H-1:H-1:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:C-4:	C-4:	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(CHHO)(H)2	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CCHH)	H(CC[3x5,6]CH)	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(CHHO)(H)2	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CCHH){4|C<4>,4|H<1>}	H(CC[3x5,6]CH)	109.1120	0.147	4	109.1120	0.022	4	109.1120	0.022	4	109.1120	0.022	4	109.6223	0.911	61	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[3x5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:N[5,5,6]-3:C-4:	C-4:	C(C[3x5,6]C[5,5,6]2N[5,5,6])(CCHH)(H)2	C[3x5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6,6]C[5])(CCHH)	H(CC[3x5,6]CH)	C(C[3x5,6]C[5,5,6]2N[5,5,6])(CCHH)(H)2	C[3x5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6,6]C[5])(CCHH){1|C<4>,1|O<2>,7|H<1>}	H(CC[3x5,6]CH)	108.5865	0.637	2	108.5865	0.406	2	108.5865	0.406	2	108.5865	0.406	2	109.6223	0.911	61	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[3x5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5,5]-4:C-4:	C-4:	C(C[3x5,6]C[5,5,6]2C[5,5])(CCHH)(CH3)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]C)(C[5,5]C[5,5,6]HH)(CCCH)	H(CC[3x5,6]CC)	C(C[3x5,6]C[5,5,6]2C[5,5])(CCHH)(CH3)(H)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]C)(C[5,5]C[5,5,6]HH)(CCCH){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(CC[3x5,6]CC)	107.4175	0.218	2	107.4175	0.048	2	107.4175	0.048	2	107.4175	0.048	2	109.6223	0.911	61	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5]	H	4:1:1:1:	4:4:4:4:	4:	C[3x5]-4:H-1:H-1:H-1:	C[3,5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C-4:	C(C[3x5]C[3,5,5]C[5,5]2)(H)3	C[3x5](C[3,5,5]C[3,5]2H)(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(CH3)	H(CC[3x5]HH)	C(C[3x5]C[3,5,5]C[5,5]2)(H)3	C[3x5](C[3,5,5]C[3,5]2H)(C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(CH3){1|C<4>,2|O<1>,3|H<1>}	H(CC[3x5]HH)	110.2677	1.043	6	110.2677	1.088	6	110.2677	1.088	6	109.6313	0.241	68	109.5120	0.430	73	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5]	H	4:1:1:1:	4:4:4:4:	4:	C[3x5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C-4:	C(C[3x5]C[5,5]3)(H)3	C[3x5](C[5,5]C[5,6a]2C)3(CH3)	H(CC[3x5]HH)	C(C[3x5]C[5,5]3)(H)3	C[3x5](C[5,5]C[5,6a]2C)3(CH3){6|C<3>}	H(CC[3x5]HH)	109.6065	0.421	45	109.6065	0.177	45	109.5697	0.132	62	109.6313	0.241	68	109.5120	0.430	73	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5]	H	4:1:1:1:	4:4:4:4:	4:	C[3x5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C-4:	C(C[3x5]C[5,5]3)(H)3	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2O)(CH3)	H(CC[3x5]HH)	C(C[3x5]C[5,5]3)(H)3	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2O)(CH3){6|C<3>}	H(CC[3x5]HH)	109.4880	0.068	3	109.4880	0.005	3	109.5697	0.132	62	109.6313	0.241	68	109.5120	0.430	73	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5]	H	4:1:1:1:	4:4:4:4:	4:	C[3x5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C-4:	C(C[3x5]C[5,5]3)(H)3	C[3x5](C[5,5]C[5,6a]2H)3(CH3)	H(CC[3x5]HH)	C(C[3x5]C[5,5]3)(H)3	C[3x5](C[5,5]C[5,6a]2H)3(CH3){6|C<3>}	H(CC[3x5]HH)	109.4690	0.031	14	109.4690	0.001	14	109.5697	0.132	62	109.6313	0.241	68	109.5120	0.430	73	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C-4:	C(C[3x5]C[5,5]3)(CC[5]HH)(H)2	C[3x5](C[5,5]C[3,5]C[5,5]H)(C[5,5]C[3,5]O[5]H)(C[5,5]C[5]2H)(CCHH)	H(CC[3x5]CH)	C(C[3x5]C[5,5]3)(CC[5]HH)(H)2	C[3x5](C[5,5]C[3,5]C[5,5]H)(C[5,5]C[3,5]O[5]H)(C[5,5]C[5]2H)(CCHH){3|C<4>,3|H<1>,3|O<2>}	H(CC[3x5]CH)	108.6400	0.000	1	108.6400	0.000	1	107.8898	0.176	5	107.8898	0.176	5	109.5120	0.430	73	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[3x5]	H	4:4:1:1:	4:4:4:4:	4:	C[3x5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C-4:	C(C[3x5]C[5,5]3)(CC[5]HO)(H)2	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)2(CCHH)	H(CC[3x5]CH)	C(C[3x5]C[5,5]3)(CC[5]HO)(H)2	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)2(CCHH){1|O<2>,3|C<4>,4|H<1>}	H(CC[3x5]CH)	107.7022	0.020	4	107.7022	0.000	4	107.8898	0.176	5	107.8898	0.176	5	109.5120	0.430	73	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[4x5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[4x5,6]-4:C-4:H-1:H-1:	C[4,4x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-3:C-4:	C-4:	C(C[4x5,6]C[4,4x5,6]C[5,5,6,6]C[5,5,6])(CCHH)(H)2	C[4x5,6](C[4,4x5,6]C[4,5,5,6,6]C[4,5]C[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[4,5,5,6]O)(CCHH)	H(CC[4x5,6]CH)	C(C[4x5,6]C[4,4x5,6]C[5,5,6,6]C[5,5,6])(CCHH)(H)2	C[4x5,6](C[4,4x5,6]C[4,5,5,6,6]C[4,5]C[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[4,5,5,6]O)(CCHH){1|O<2>,2|C<4>,7|H<1>}	H(CC[4x5,6]CH)	107.1490	0.008	2	107.1490	0.000	2	107.1490	0.000	2	107.1490	0.000	2	107.1490	0.000	2	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[4x5]	H	4:1:1:1:	4:4:2:4:	4:	C[4x5]-4:H-1:H-1:H-1:	C[4x5,6]-4:C[3x5,6]-4:O[5,5]-2:C-4:	C-4:	C(C[4x5]C[3x5,6]C[4x5,6]O[5,5])(H)3	C[4x5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[5])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(CH3)	H(CC[4x5]HH)	C(C[4x5]C[3x5,6]C[4x5,6]O[5,5])(H)3	C[4x5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[5])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(CC[4x5]HH)	109.4857	0.048	3	109.4857	0.002	3	109.4857	0.002	3	109.4857	0.002	3	109.4857	0.002	3	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,3x6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,3x6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C-4:	C(C[5,3x6]C[5,6,6]2C[6,6])(H)3	C[5,3x6](C[5,6,6]C[5,6,6]C[5]C)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]O)(CH3)	H(CC[5,3x6]HH)	C(C[5,3x6]C[5,6,6]2C[6,6])(H)3	C[5,3x6](C[5,6,6]C[5,6,6]C[5]C)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]O)(CH3){2|C<4>,2|O<2>,5|H<1>}	H(CC[5,3x6]HH)	109.4440	0.011	2	109.4440	0.000	2	109.7638	1.025	5	109.7638	1.025	5	108.5023	1.573	32	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,3x6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,3x6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C-4:	C(C[5,3x6]C[5,6,6]2C[6,6])(H)3	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(CH3)	H(CC[5,3x6]HH)	C(C[5,3x6]C[5,6,6]2C[6,6])(H)3	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(CH3){2|C<4>,2|H<1>,2|O<1>}	H(CC[5,3x6]HH)	109.9770	1.371	3	109.9770	1.879	3	109.7638	1.025	5	109.7638	1.025	5	108.5023	1.573	32	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,3x6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,3x6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C-4:	C(C[5,3x6]C[5,6,6]2C[6,6])(H)3	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3)	H(CC[5,3x6]HH)	C(C[5,3x6]C[5,6,6]2C[6,6])(H)3	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]O[6,6]C[5]C)(C[6,6]O[6,6]CH)(CH3){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	H(CC[5,3x6]HH)	109.4667	0.028	9	109.4667	0.001	9	109.4713	0.001	12	109.4713	0.001	12	108.5023	1.573	32	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,3x6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,3x6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C-4:	C-4:	C(C[5,3x6]C[5,6,6]2C[6,6])(H)3	C[5,3x6](C[5,6,6]O[6,6]O[5]C)2(C[6,6]C[6,6]HH)(CH3)	H(CC[5,3x6]HH)	C(C[5,3x6]C[5,6,6]2C[6,6])(H)3	C[5,3x6](C[5,6,6]O[6,6]O[5]C)2(C[6,6]C[6,6]HH)(CH3){1|C<4>,2|H<1>}	H(CC[5,3x6]HH)	109.4853	0.035	3	109.4853	0.001	3	109.4713	0.001	12	109.4713	0.001	12	108.5023	1.573	32	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,3x6]-4:C-4:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C-4:	C(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])(CCHH)(H)2	C[5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH)	H(CC[5,3x6]CH)	C(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])(CCHH)(H)2	C[5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	H(CC[5,3x6]CH)	108.0743	0.049	4	108.0743	0.002	4	108.0743	0.002	4	107.4741	0.207	12	108.5023	1.573	32	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,3x6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,3x6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C-4:	C(C[5,3x6]C[5,6,6]2C[6,6])(CCHH)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH)	H(CC[5,3x6]CH)	C(C[5,3x6]C[5,6,6]2C[6,6])(CCHH)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH){1|C<4>,1|O<1>,8|H<1>}	H(CC[5,3x6]CH)	107.1740	0.126	8	107.1740	0.016	8	107.1740	0.016	8	107.4741	0.207	12	108.5023	1.573	32	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,3x6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:C-4:	C-4:	C(C[5,3x6]C[5,6,6]3)(CCHH)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]2)(CCHH)	H(CC[5,3x6]CH)	C(C[5,3x6]C[5,6,6]3)(CCHH)(H)2	C[5,3x6](C[5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]2)(CCHH){1|O<1>,1|O<2>,4|C<4>,9|H<1>}	H(CC[5,3x6]CH)	106.7045	0.030	2	106.7045	0.001	2	106.7045	0.001	2	106.7045	0.001	2	108.5023	1.573	32	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,3x6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,3x6]-4:C-4:C-4:H-1:	Ge[5,3x6]-4:C[3x6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,3x6]Ge[5,3x6]C[3x6]C[5,6])(CH3)2(H)	C[5,3x6](Ge[5,3x6]C[5,6a]C[6,6]2)(C[3x6]Ge[3x6]C[6]H)(C[5,6]C[5,6a]C[6])(CCCH)	H(CC[5,3x6]CC)	C(C[5,3x6]Ge[5,3x6]C[3x6]C[5,6])(CH3)2(H)	C[5,3x6](Ge[5,3x6]C[5,6a]C[6,6]2)(C[3x6]Ge[3x6]C[6]H)(C[5,6]C[5,6a]C[6])(CCCH){2|C<4>,2|H<1>,6|C<3>}	H(CC[5,3x6]CC)	106.5000	0.000	1	106.5000	0.000	1	106.5000	0.000	1	106.5000	0.000	1	108.5023	1.573	32	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,3x6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,3x6]-4:H-1:H-1:H-1:	P[4,5,3x6]-4:C[3x5,6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C[5,6])(H)3	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]Cl)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,3x6]HH)	C(C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C[5,6])(H)3	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]Cl)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3){2|C<3>,5|C<4>}	H(CC[5,5,3x6]HH)	109.4677	0.057	3	109.4677	0.003	3	109.4200	0.006	9	109.4200	0.006	9	109.2761	0.212	10	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,3x6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,3x6]-4:H-1:H-1:H-1:	P[4,5,3x6]-4:C[3x5,6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C[5,6])(H)3	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]Ga)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,3x6]HH)	C(C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C[5,6])(H)3	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]Ga)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3){2|C<3>,5|C<4>}	H(CC[5,5,3x6]HH)	109.4647	0.010	3	109.4647	0.000	3	109.4200	0.006	9	109.4200	0.006	9	109.2761	0.212	10	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,3x6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,3x6]-4:H-1:H-1:H-1:	P[4,5,3x6]-4:C[3x5,6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C[5,6])(H)3	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]I)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,3x6]HH)	C(C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C[5,6])(H)3	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]I)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3){2|C<3>,5|C<4>}	H(CC[5,5,3x6]HH)	109.3277	0.037	3	109.3277	0.001	3	109.4200	0.006	9	109.4200	0.006	9	109.2761	0.212	10	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,3x6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,3x6]-4:C-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-4:C-4:	C-4:	C(C[5,5,3x6]C[5,5,6,6]C[5,6,6]2)(CCHH)(H)2	C[5,5,3x6](C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(CCHH)	H(CC[5,5,3x6]CH)	C(C[5,5,3x6]C[5,5,6,6]C[5,6,6]2)(CCHH)(H)2	C[5,5,3x6](C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(CCHH){1|C<4>,3|O<2>,9|H<1>}	H(CC[5,5,3x6]CH)	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	107.9810	0.000	1	109.2761	0.212	10	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,4x6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,4x6]-4:H-1:H-1:H-1:	C[4,5,4x6]-4:C[5,5x6]-4:C[5,5]-3:C-4:	C-4:	C(C[5,5,4x6]C[4,5,4x6]C[5,5x6]C[5,5])(H)3	C[5,5,4x6](C[4,5,4x6]C[4,4,5,6,6]C[4,3x6]C[6a])(C[5,5x6]C[4,5,4x6]C[6,6]H)(C[5,5]C[4,5,5,6]C[5])(CH3)	H(CC[5,5,4x6]HH)	C(C[5,5,4x6]C[4,5,4x6]C[5,5x6]C[5,5])(H)3	C[5,5,4x6](C[4,5,4x6]C[4,4,5,6,6]C[4,3x6]C[6a])(C[5,5x6]C[4,5,4x6]C[6,6]H)(C[5,5]C[4,5,5,6]C[5])(CH3){2|S<2>,3|C<3>,3|C<4>,4|H<1>}	H(CC[5,5,4x6]HH)	111.7030	3.141	3	111.7030	9.868	3	111.7030	9.868	3	111.7030	9.868	3	111.7030	9.868	3	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	N[3x5,6]-3:C[5,6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6,6]C[5,6,6]N[3x5,6]C[5,6])(H)3	C[5,5,6,6](N[3x5,6]C[3x5,6]C[5,6])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]O)(CH3)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[5,6,6]N[3x5,6]C[5,6])(H)3	C[5,5,6,6](N[3x5,6]C[3x5,6]C[5,6])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[5,5,6,6]HH)	109.4553	0.028	3	109.4553	0.001	3	109.4553	0.001	3	109.4553	0.001	3	109.5477	0.939	46	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,6])(H)3	C[5,5,6,6](C[5,5,3x6]C[3x5,6]C[5,3x6]O)(C[5,5,6]C[3x5,6]O[5]O)(O[5,6]C[5,6])(CH3)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,6])(H)3	C[5,5,6,6](C[5,5,3x6]C[3x5,6]C[5,3x6]O)(C[5,5,6]C[3x5,6]O[5]O)(O[5,6]C[5,6])(CH3){1|H<1>,2|O<2>,4|C<4>}	H(CC[5,5,6,6]HH)	109.4790	0.025	2	109.4790	0.001	2	109.4790	0.001	2	109.4886	0.001	11	109.5477	0.939	46	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:P[5,5,6,6]-4:P[6,6]-2:C-4:	C-4:	C(C[5,5,6,6]C[5,5,6,6]P[5,5,6,6]P[6,6])(H)3	C[5,5,6,6](C[5,5,6,6]P[3,5,6,6]P[5,6]C)(P[5,5,6,6]C[3,5,6,6]C[5,6]W)(P[6,6]C[6,6])(CH3)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[5,5,6,6]P[5,5,6,6]P[6,6])(H)3	C[5,5,6,6](C[5,5,6,6]P[3,5,6,6]P[5,6]C)(P[5,5,6,6]C[3,5,6,6]C[5,6]W)(P[6,6]C[6,6])(CH3){1|P<3>,1|W<6>,3|C<4>}	H(CC[5,5,6,6]HH)	109.5100	0.033	3	109.5100	0.001	3	109.5100	0.001	3	109.4886	0.001	11	109.5477	0.939	46	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,6])(H)3	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]C)(O[5,6]C[5,6])(CH3)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,6])(H)3	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]C)(O[5,6]C[5,6])(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(CC[5,5,6,6]HH)	109.4830	0.025	3	109.4830	0.001	3	109.4830	0.001	3	109.4886	0.001	11	109.5477	0.939	46	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:C-4:	C-4:	C(C[5,5,6,6]C[5,6,6]2O[5,5])(H)3	C[5,5,6,6](C[5,6,6]C[5,6]O[6]C)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(CH3)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[5,6,6]2O[5,5])(H)3	C[5,5,6,6](C[5,6,6]C[5,6]O[6]C)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(CH3){1|C<3>,1|S<2>,2|F<1>,2|H<1>}	H(CC[5,5,6,6]HH)	109.4793	0.017	3	109.4793	0.000	3	109.4793	0.000	3	109.4886	0.001	11	109.5477	0.939	46	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])(H)3	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]C[6a])(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])(H)3	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]C[6a])(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3){1|N<3>,1|W<6>,2|C<4>,2|H<1>,3|C<3>}	H(CC[5,5,6,6]HH)	109.4590	0.018	2	109.4590	0.000	2	109.4440	0.001	4	109.4555	0.001	19	109.5477	0.939	46	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])(H)3	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])(H)3	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|N<3>,1|W<6>,2|C<3>,2|C<4>}	H(CC[5,5,6,6]HH)	109.4290	0.045	2	109.4290	0.002	2	109.4440	0.001	4	109.4555	0.001	19	109.5477	0.939	46	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5,6,6]-3:C-4:	C-4:	C(C[5,5,6,6]C[3x5,6]C[5,5,6]C[5,6,6])(H)3	C[5,5,6,6](C[3x5,6]C[3,5,6]C[3x5,6]H)(C[5,5,6]C[5,5,6]O[5]C)(C[5,6,6]C[5,5,6,6]O)(CH3)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[3x5,6]C[5,5,6]C[5,6,6])(H)3	C[5,5,6,6](C[3x5,6]C[3,5,6]C[3x5,6]H)(C[5,5,6]C[5,5,6]O[5]C)(C[5,6,6]C[5,5,6,6]O)(CH3){3|H<1>,5|C<4>}	H(CC[5,5,6,6]HH)	109.4470	0.057	5	109.4470	0.003	5	109.4470	0.003	5	109.4555	0.001	19	109.5477	0.939	46	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])(H)3	C[5,5,6,6](C[3x5,6]C[4x5,6,6]C[5,6]H)(C[5,6,6]C[3x5,3x6]HH)(C[5,6]C[5,6]H)(CH3)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])(H)3	C[5,5,6,6](C[3x5,6]C[4x5,6,6]C[5,6]H)(C[5,6,6]C[3x5,3x6]HH)(C[5,6]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5,5,6,6]HH)	109.4813	0.021	3	109.4813	0.000	3	109.4813	0.000	3	109.4555	0.001	19	109.5477	0.939	46	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[5]-3:C-4:	C-4:	C(C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C[5])(H)3	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C[5])(H)3	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,4|C<4>}	H(CC[5,5,6,6]HH)	109.4571	0.031	7	109.4571	0.001	7	109.4571	0.001	7	109.4555	0.001	19	109.5477	0.939	46	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C-4:	C-4:	C(C[5,5,6,6]C[3x5,6]C[5,3x6]C[5,5,6])(H)3	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6]O)(C[5,5,6]C[5,5,6]C[5]O)(CH3)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[3x5,6]C[5,3x6]C[5,5,6])(H)3	C[5,5,6,6](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5,3x6]C[5,5,3x6]C[6]O)(C[5,5,6]C[5,5,6]C[5]O)(CH3){4|C<4>,4|H<1>,5|O<2>}	H(CC[5,5,6,6]HH)	109.4675	0.042	2	109.4675	0.002	2	109.4675	0.002	2	110.0804	3.380	11	109.5477	0.939	46	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-4:C-4:	C-4:	C(C[5,5,6,6]C[5,5,6,6]2C[6,6])(H)3	C[5,5,6,6](C[5,5,6,6]C[3,5,6,6]C[5,6]C)2(C[6,6]N[6,6]C[5a]H)(CH3)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[5,5,6,6]2C[6,6])(H)3	C[5,5,6,6](C[5,5,6,6]C[3,5,6,6]C[5,6]C)2(C[6,6]N[6,6]C[5a]H)(CH3){1|H<1>,1|O<2>,1|P<4>,2|C<3>,3|C<4>}	H(CC[5,5,6,6]HH)	109.4597	0.035	3	109.4597	0.001	3	109.4597	0.001	3	110.0804	3.380	11	109.5477	0.939	46	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,6])(H)3	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,6])(H)3	C[5,5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3){1|O<2>,3|C<4>,9|H<1>}	H(CC[5,5,6,6]HH)	111.7373	3.352	3	111.7373	11.235	3	111.7373	11.235	3	110.0804	3.380	11	109.5477	0.939	46	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(H)3	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6,6]HH)	C(C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(H)3	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(CC[5,5,6,6]HH)	109.4527	0.036	3	109.4527	0.001	3	109.4527	0.001	3	110.0804	3.380	11	109.5477	0.939	46	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6,6]-4:C-4:H-1:H-1:	C[3x5]-4:C[5,6,6]-4:C[5,6,6]-4:C-4:	C-4:	C(C[5,5,6,6]C[5,6,6]2C[3x5])(CCHH)(H)2	C[5,5,6,6](C[3x5]C[5,5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]H)(CCHH)	H(CC[5,5,6,6]CH)	C(C[5,5,6,6]C[5,6,6]2C[3x5])(CCHH)(H)2	C[5,5,6,6](C[3x5]C[5,5,6]C[5]O[5])(C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]C[6]H)(CCHH){1|O<2>,3|C<4>,8|H<1>}	H(CC[5,5,6,6]CH)	107.9560	0.153	2	107.9560	0.023	2	107.9560	0.023	2	107.9560	0.023	2	109.5477	0.939	46	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	2:3:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[5,5,6]HH)	109.4675	0.048	6	109.4675	0.002	6	109.4675	0.002	6	109.4675	0.002	6	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|N<3>,2|C<4>,3|H<1>}	H(CC[5,5,6]HH)	109.4507	0.009	3	109.4507	0.000	3	109.4548	0.000	5	109.4626	0.000	15	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|H<1>,1|S<4>,3|C<4>}	H(CC[5,5,6]HH)	109.4610	0.008	2	109.4610	0.000	2	109.4548	0.000	5	109.4626	0.000	15	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[5,5,6]HH)	109.4630	0.006	2	109.4640	0.000	4	109.4570	0.000	7	109.4626	0.000	15	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[5,5,6]HH)	109.4650	0.021	2	109.4640	0.000	4	109.4570	0.000	7	109.4626	0.000	15	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[5,5,6]HH)	109.4477	0.029	3	109.4477	0.001	3	109.4570	0.000	7	109.4626	0.000	15	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]C[5,5,6,6]O)(O[5,5]C[3x5,6,6])(C[5,6]C[5,6,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]C[5,5,6,6]O)(O[5,5]C[3x5,6,6])(C[5,6]C[5,6,6]O)(CH3){1|C<3>,4|C<4>}	H(CC[5,5,6]HH)	109.4887	0.011	3	109.4887	0.000	3	109.4887	0.000	3	109.4626	0.000	15	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:3:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-3:C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3){1|N<3>,2|C<4>}	H(CC[5,5,6]HH)	109.4708	0.056	10	109.4708	0.003	10	109.4708	0.003	10	109.4708	0.003	10	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-3:N[5,6]-3:C[5,5]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]N[5,6])(H)3	C[5,5,6](C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[5,5]C[5]2O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]N[5,6])(H)3	C[5,5,6](C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[5,5]C[5]2O)(CH3){2|H<1>,5|C<3>}	H(CC[5,5,6]HH)	109.4650	0.006	2	109.4650	0.000	2	109.4650	0.000	2	109.4650	0.000	2	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(CH3){1|O<2>,2|C<3>,4|H<1>}	H(CC[5,5,6]HH)	109.4440	0.054	3	109.4440	0.003	3	109.4440	0.003	3	109.4734	0.001	18	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(CC[5,5,6]HH)	109.4617	0.022	3	109.4617	0.000	3	109.4645	0.000	6	109.4734	0.001	18	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(CH3){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(CC[5,5,6]HH)	109.4673	0.020	3	109.4673	0.000	3	109.4645	0.000	6	109.4734	0.001	18	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[5,5,6]HH)	109.4823	0.049	3	109.4823	0.002	3	109.5040	0.002	6	109.4734	0.001	18	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3){1|O<2>,2|H<1>,3|C<3>}	H(CC[5,5,6]HH)	109.5257	0.011	3	109.5257	0.000	3	109.5040	0.002	6	109.4734	0.001	18	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[5,6]-4:S[5,5]-2:C-4:	C-4:	C(C[5,5,6]C[5,6]N[5,6]S[5,5])(H)3	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,6]C[5,6]HH)(S[5,5]C[5,5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]N[5,6]S[5,5])(H)3	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,6]C[5,6]HH)(S[5,5]C[5,5,6])(CH3){1|H<1>,1|O<1>,4|C<3>}	H(CC[5,5,6]HH)	109.4597	0.013	3	109.4597	0.000	3	109.4597	0.000	3	109.4734	0.001	18	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-3:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[4,5,6]C[4,5,6]2C)(C[5,5]C[5,5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[4,5,6]C[4,5,6]2C)(C[5,5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>,4|C<3>}	H(CC[5,5,6]HH)	110.2937	2.283	6	110.2937	5.210	6	110.2937	5.210	6	109.5564	0.504	60	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CC[5,5,6]HH)	109.4657	0.073	3	109.4657	0.005	3	109.4788	0.001	28	109.5564	0.504	60	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	H(CC[5,5,6]HH)	109.4875	0.029	4	109.4803	0.001	25	109.4788	0.001	28	109.5564	0.504	60	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CC[5,5,6]HH)	109.4790	0.027	21	109.4803	0.001	25	109.4788	0.001	28	109.5564	0.504	60	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[5,5,6]N[5,5])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(CH3){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(CC[5,5,6]HH)	109.4750	0.038	3	109.4750	0.001	3	109.4750	0.001	3	109.5564	0.504	60	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<4>,3|C<3>}	H(CC[5,5,6]HH)	109.4826	0.020	5	109.4609	0.002	17	109.4609	0.002	17	109.5564	0.504	60	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|Pd<4>,4|C<3>}	H(CC[5,5,6]HH)	109.4262	0.040	6	109.4609	0.002	17	109.4609	0.002	17	109.5564	0.504	60	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|Rh<6>,4|C<3>}	H(CC[5,5,6]HH)	109.4775	0.046	6	109.4609	0.002	17	109.4609	0.002	17	109.5564	0.504	60	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	N[5,5]-3:C[5,6]-4:N[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]N[5,5]N[5,6])(H)3	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(N[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]N[5,5]N[5,6])(H)3	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(N[5,6]C[5,6]C)(CH3){1|C<3>,1|O<1>,2|H<1>}	H(CC[5,5,6]HH)	109.4797	0.032	3	109.4797	0.001	3	109.4797	0.001	3	109.5564	0.504	60	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	S[5,5]-3:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]2S[5,5])(H)3	C[5,5,6](S[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2S[5,5])(H)3	C[5,5,6](S[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(CH3){4|H<1>}	H(CC[5,5,6]HH)	109.5060	0.042	3	109.5060	0.002	3	109.5060	0.002	3	109.5564	0.504	60	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|Zn<4>,1|C<3>,1|N<3>,3|H<1>}	H(CC[5,5,6]HH)	109.4717	0.038	12	109.4717	0.001	12	109.4717	0.001	12	109.6649	1.733	111	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5a,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5a,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5a,6]C[5,5a,6]N[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<3>,3|H<1>}	H(CC[5,5,6]HH)	109.4785	0.074	26	109.4785	0.005	26	109.4785	0.005	26	109.6649	1.733	111	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>}	H(CC[5,5,6]HH)	109.4715	0.008	2	109.4710	0.001	35	109.4710	0.001	35	109.6649	1.733	111	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|O<2>,4|H<1>}	H(CC[5,5,6]HH)	109.4709	0.037	33	109.4710	0.001	35	109.4710	0.001	35	109.6649	1.733	111	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[3x5,6]CH)(C[5,6]N[5,5,6]CH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[3x5,6]CH)(C[5,6]N[5,5,6]CH)(CH3){1|H<1>,1|S<4>,3|C<3>}	H(CC[5,5,6]HH)	109.4600	0.030	2	109.4600	0.001	2	109.4732	0.000	15	109.6649	1.733	111	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<2>,3|H<1>}	H(CC[5,5,6]HH)	109.4757	0.019	11	109.4752	0.000	13	109.4732	0.000	15	109.6649	1.733	111	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<3>,3|H<1>}	H(CC[5,5,6]HH)	109.4725	0.029	2	109.4752	0.000	13	109.4732	0.000	15	109.6649	1.733	111	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|P<4>,2|C<3>,3|H<1>}	H(CC[5,5,6]HH)	109.4907	0.061	3	109.4907	0.004	3	109.4907	0.004	3	109.6649	1.733	111	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,6]2N[5,5])(H)3	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2N[5,5])(H)3	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CH3){1|Br<1>,4|H<1>}	H(CC[5,5,6]HH)	109.4744	0.048	5	109.4744	0.002	5	110.5323	9.059	20	109.6649	1.733	111	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,6]2N[5,5])(H)3	C[5,5,6](N[5,5]C[5,5,6]H)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HW)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2N[5,5])(H)3	C[5,5,6](N[5,5]C[5,5,6]H)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HW)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[5,5,6]HH)	113.0363	4.865	6	113.0363	23.668	6	110.5323	9.059	20	109.6649	1.733	111	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,6]2N[5,5])(H)3	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)2(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2N[5,5])(H)3	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)2(CH3){1|Si<4>,1|C<3>,2|H<1>}	H(CC[5,5,6]HH)	109.4507	0.053	9	109.4507	0.003	9	110.5323	9.059	20	109.6649	1.733	111	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3){1|C<3>,2|C<4>}	H(CC[5,5,6]HH)	107.8433	2.185	3	108.6618	2.906	6	108.6618	2.906	6	109.0594	3.485	67	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3){1|C<4>,2|C<3>}	H(CC[5,5,6]HH)	109.4803	0.695	3	108.6618	2.906	6	108.6618	2.906	6	109.0594	3.485	67	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5,6]O[5,5]O[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]O[5,5]O[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(CC[5,5,6]HH)	109.4648	0.066	10	109.4648	0.004	10	109.4433	0.029	13	109.0594	3.485	67	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5,6]O[5,5]O[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]O[5,5]O[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,4|H<1>}	H(CC[5,5,6]HH)	109.3717	0.384	3	109.3717	0.147	3	109.4433	0.029	13	109.0594	3.485	67	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5,6]O[5,6]2)(H)3	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]O[5,6]2)(H)3	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3){1|C<3>,1|O<2>,3|C<4>}	H(CC[5,5,6]HH)	107.1283	3.348	3	108.2332	11.130	18	108.2332	11.130	18	109.0594	3.485	67	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5,6]O[5,6]2)(H)3	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]O[5,6]2)(H)3	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3){1|O<1>,4|C<4>}	H(CC[5,5,6]HH)	105.9670	2.218	3	108.2332	11.130	18	108.2332	11.130	18	109.0594	3.485	67	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5,6]O[5,6]2)(H)3	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]O[5,6]2)(H)3	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3){1|O<2>,4|C<4>}	H(CC[5,5,6]HH)	109.0759	3.429	12	108.2332	11.130	18	108.2332	11.130	18	109.0594	3.485	67	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:O[5,6]-2:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5]O[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6,6]HO)(O[5,6]C[5,6,6])(O[5,6]C[5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]O[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6,6]HO)(O[5,6]C[5,6,6])(O[5,6]C[5,6])(CH3){1|H<1>,1|O<1>,2|C<4>}	H(CC[5,5,6]HH)	109.4608	0.024	9	109.4608	0.001	9	109.4710	0.001	19	109.0594	3.485	67	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:O[5,6]-2:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5]O[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CH)(O[5,6]O[5,6])2(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]O[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CH)(O[5,6]O[5,6])2(CH3){1|C<4>}	H(CC[5,5,6]HH)	109.4802	0.025	10	109.4802	0.001	10	109.4710	0.001	19	109.0594	3.485	67	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(CH3){1|H<1>,1|O<1>,2|C<3>}	H(CC[5,5,6]HH)	109.3950	1.687	3	109.3950	2.845	3	109.4635	0.571	11	109.0594	3.485	67	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[5,5,6]HH)	109.4973	0.025	3	109.5004	0.000	5	109.4635	0.571	11	109.0594	3.485	67	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3){1|C<4>,1|O<1>,2|H<1>}	H(CC[5,5,6]HH)	109.5050	0.020	2	109.5004	0.000	5	109.4635	0.571	11	109.0594	3.485	67	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CH3){1|C<4>,1|H<1>,1|O<2>}	H(CC[5,5,6]HH)	109.4707	0.008	3	109.4707	0.000	3	109.4635	0.571	11	109.0594	3.485	67	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[5,5,6]HH)	109.4600	0.047	5	109.4534	0.002	15	109.4534	0.002	15	109.5272	0.112	74	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[5,5,6]HH)	109.4498	0.048	5	109.4534	0.002	15	109.4534	0.002	15	109.5272	0.112	74	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[5,5,6]HH)	109.4504	0.037	5	109.4534	0.002	15	109.4534	0.002	15	109.5272	0.112	74	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(CC[5,5,6]HH)	110.2263	0.982	6	110.2263	0.965	6	109.6937	0.383	20	109.5272	0.112	74	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(CC[5,5,6]HH)	109.4758	0.027	4	109.4706	0.001	10	109.6937	0.383	20	109.5272	0.112	74	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(CC[5,5,6]HH)	109.4672	0.028	6	109.4706	0.001	10	109.6937	0.383	20	109.5272	0.112	74	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,1|O<2>,1|S<4>,2|F<1>,4|H<1>}	H(CC[5,5,6]HH)	109.4705	0.069	2	109.4705	0.005	2	109.6937	0.383	20	109.5272	0.112	74	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,1|O<2>,2|F<1>,4|H<1>}	H(CC[5,5,6]HH)	109.4345	0.028	2	109.4345	0.001	2	109.6937	0.383	20	109.5272	0.112	74	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:N[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]N[5,6]O[5,5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]N[5,6]O[5,5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(CC[5,5,6]HH)	109.4604	0.044	5	109.4604	0.002	5	109.4604	0.002	5	109.5272	0.112	74	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[5,5,6]HH)	109.4815	0.060	4	109.4815	0.004	4	109.4905	0.002	15	109.5272	0.112	74	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3){1|Cl<1>,1|H<1>,2|C<4>}	H(CC[5,5,6]HH)	109.4885	0.029	6	109.4885	0.001	6	109.4905	0.002	15	109.5272	0.112	74	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3){2|C<4>,3|C<3>}	H(CC[5,5,6]HH)	109.4845	0.076	2	109.4845	0.006	2	109.4905	0.002	15	109.5272	0.112	74	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3){1|C<3>,2|C<4>}	H(CC[5,5,6]HH)	109.5107	0.067	3	109.5107	0.005	3	109.4905	0.002	15	109.5272	0.112	74	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]2S[5,5])(H)3	C[5,5,6](C[5,6]C[5,5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2S[5,5])(H)3	C[5,5,6](C[5,6]C[5,5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3){1|H<1>,3|C<3>}	H(CC[5,5,6]HH)	109.4450	0.044	3	109.4450	0.002	3	109.4569	0.003	19	109.5272	0.112	74	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]2S[5,5])(H)3	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2S[5,5])(H)3	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3){2|C<3>,2|H<1>}	H(CC[5,5,6]HH)	109.4739	0.058	7	109.4739	0.003	7	109.4569	0.003	19	109.5272	0.112	74	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]2S[5,5])(H)3	C[5,5,6](C[5,6]C[5,6]C[6a]H)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2S[5,5])(H)3	C[5,5,6](C[5,6]C[5,6]C[6a]H)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	H(CC[5,5,6]HH)	109.4477	0.051	9	109.4477	0.003	9	109.4569	0.003	19	109.5272	0.112	74	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C-4:	C-4:	C(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(H)3	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(C[5,6,6a]C[5,6,6a]O[6a])(O[5,5]C[5,5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(H)3	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(C[5,6,6a]C[5,6,6a]O[6a])(O[5,5]C[5,5,6])(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(CC[5,5,6]HH)	109.4857	0.052	9	109.4857	0.003	9	109.4857	0.003	9	109.4784	0.002	15	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-3:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]C)(O[5,6]N[5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]C)(O[5,6]N[5,6])(CH3){1|C<3>,2|C<4>}	H(CC[5,5,6]HH)	109.4675	0.025	6	109.4675	0.001	6	109.4675	0.001	6	109.4784	0.002	15	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3x5,6,6]-4:B[5,5]-3:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[3x5,6,6]B[5,5]C[5,6])(H)3	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6,6]B[5,5]C[5,6])(H)3	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>,5|C<4>}	H(CC[5,5,6]HH)	109.4758	0.028	5	109.4758	0.001	5	109.4758	0.001	5	109.5679	0.298	21	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6a]-3:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,6a]C[5,6])(H)3	C[5,5,6](C[3x5,6]C[5,6]O[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,6a]C[5,6])(H)3	C[5,5,6](C[3x5,6]C[5,6]O[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C)(CH3){1|C<4>,3|C<3>,4|H<1>}	H(CC[5,5,6]HH)	109.4840	0.034	2	109.4840	0.001	2	109.4840	0.001	2	109.5679	0.298	21	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CC[5,5,6]HH)	109.4555	0.045	2	109.4555	0.002	2	109.4555	0.002	2	109.5679	0.298	21	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:As[5,6]-3:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]As[5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5]C[5,5,6]CH)(As[5,6]P[5,6]P)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]As[5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5]C[5,5,6]CH)(As[5,6]P[5,6]P)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|W<6>,2|C<4>}	H(CC[5,5,6]HH)	109.4530	0.021	3	109.4530	0.000	3	109.4530	0.000	3	109.5679	0.298	21	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-3:N[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]N[5,6])(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]C)(N[5,6]O[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]N[5,6])(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]C)(N[5,6]O[5,6]C)(CH3){2|C<4>}	H(CC[5,5,6]HH)	109.4750	0.027	6	109.4750	0.001	6	109.7009	0.708	9	109.5679	0.298	21	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-3:N[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]N[5,6])(H)3	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(N[5,6]C[5,6]H)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]N[5,6])(H)3	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(N[5,6]C[5,6]H)(CH3){3|H<1>}	H(CC[5,5,6]HH)	110.1527	1.540	3	110.1527	2.372	3	109.7009	0.708	9	109.5679	0.298	21	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(H)3	C[5,5,6](C[3x5,6]O[5,5]O[5,6]C[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(H)3	C[5,5,6](C[3x5,6]O[5,5]O[5,6]C[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(CH3){1|C<4>,5|H<1>}	H(CC[5,5,6]HH)	109.4677	0.060	3	109.4677	0.004	3	109.4677	0.004	3	109.6379	0.842	30	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(CH3){2|C<4>,2|H<1>,4|C<3>}	H(CC[5,5,6]HH)	109.4695	0.044	6	109.4695	0.002	6	109.4695	0.002	6	109.6379	0.842	30	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3){2|O<2>,3|H<1>}	H(CC[5,5,6]HH)	109.4670	0.025	10	109.4670	0.001	10	109.8549	1.943	13	109.6379	0.842	30	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CC[5,5,6]HH)	111.1480	2.897	3	111.1480	8.392	3	109.8549	1.943	13	109.6379	0.842	30	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-3:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3){1|C<4>,2|H<1>,4|C<3>}	H(CC[5,5,6]HH)	109.4770	0.025	2	109.4770	0.001	2	109.4770	0.001	2	109.6379	0.842	30	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[5,6]-3:C[5,5]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]N[5,6])(H)3	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,6]O[5]O[6])(C[5,5]C[5]2H)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]N[5,6])(H)3	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,6]O[5]O[6])(C[5,5]C[5]2H)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(CC[5,5,6]HH)	109.4647	0.074	3	109.4647	0.005	3	109.4647	0.005	3	109.6379	0.842	30	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	N[5,5,6,6]-4:C[5a,6]-3:C[5,5,6]-4:C-4:	C-4:	C(C[5,5,6]N[5,5,6,6]C[5,5,6]C[5a,6])(H)3	C[5,5,6](N[5,5,6,6]C[5,6]2C[6])(C[5a,6]C[5a,6]N[5a])(C[5,5,6]C[5,6]2O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]N[5,5,6,6]C[5,5,6]C[5a,6])(H)3	C[5,5,6](N[5,5,6,6]C[5,6]2C[6])(C[5a,6]C[5a,6]N[5a])(C[5,5,6]C[5,6]2O)(CH3){10|H<1>,2|C<3>,2|C<4>}	H(CC[5,5,6]HH)	109.4850	0.044	3	109.4850	0.002	3	109.4850	0.002	3	109.6379	0.842	30	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,5,6]O[5])(H)3	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,5,6]O[5])(H)3	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(CH3){1|C<3>,2|C<4>,6|H<1>}	H(CC[5,5,6]HH)	109.4565	0.036	2	109.4565	0.001	2	109.4565	0.001	2	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(H)3	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a]H)(O[5]C[5])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(H)3	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a]H)(O[5]C[5])(CH3){1|C<4>,1|S<1>,2|C<3>,5|H<1>}	H(CC[5,5,6]HH)	109.7122	1.284	6	109.7122	1.649	6	109.7542	1.311	21	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(H)3	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]HH)(O[5]C[5])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(H)3	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]HH)(O[5]C[5])(CH3){1|C<4>,1|S<1>,5|H<1>}	H(CC[5,5,6]HH)	109.7710	1.132	15	109.7710	1.283	15	109.7542	1.311	21	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5])(H)3	C[5,5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C)(C[5,5,6]C[3x5,6]C[5,5]H)(O[5]C[5,5])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5])(H)3	C[5,5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C)(C[5,5,6]C[3x5,6]C[5,5]H)(O[5]C[5,5])(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(CC[5,5,6]HH)	109.4655	0.027	4	109.4655	0.001	4	109.4655	0.001	4	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[4,5,6]-4:O[5,5]-2:C-4:	C-4:	C(C[5,5,6]C[4,5,6]C[5,5,6]O[5,5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[4,5,6]C[5,6]C[4]2)(O[5,5]C[5,5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[4,5,6]C[5,5,6]O[5,5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[4,5,6]C[5,6]C[4]2)(O[5,5]C[5,5,6])(CH3){2|O<1>,3|C<4>,6|H<1>}	H(CC[5,5,6]HH)	109.4730	0.010	3	109.4730	0.000	3	109.4730	0.000	3	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,5,6]C[5,5,6]2O[5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]2O[5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5])(CH3){1|C<4>,1|O<1>,7|H<1>}	H(CC[5,5,6]HH)	109.3010	1.848	3	109.3010	3.414	3	108.9433	1.666	6	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,5,6]C[5,5,6]2O[5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]O[5,5]O[5,6]C)(O[5]C[5])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]2O[5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]O[5,5]O[5,6]C)(O[5]C[5])(CH3){1|H<1>,3|C<4>}	H(CC[5,5,6]HH)	108.5857	0.607	3	108.5857	0.368	3	108.9433	1.666	6	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3){1|C<3>,1|C<4>,5|H<1>}	H(CC[5,5,6]HH)	109.4712	0.025	6	109.4689	0.001	19	109.4634	0.001	25	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3){1|O<1>,2|C<4>,3|H<1>}	H(CC[5,5,6]HH)	109.4500	0.018	3	109.4689	0.001	19	109.4634	0.001	25	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3){2|C<4>,5|H<1>}	H(CC[5,5,6]HH)	109.4733	0.022	10	109.4689	0.001	19	109.4634	0.001	25	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(CH3){1|O<2>,2|C<4>,4|H<1>}	H(CC[5,5,6]HH)	109.4457	0.030	6	109.4457	0.001	6	109.4634	0.001	25	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5])(H)3	C[5,5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5])(H)3	C[5,5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5,5,6]HH)	109.4858	0.020	5	109.4858	0.000	5	109.4858	0.000	5	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(H)3	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(H)3	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CH3){2|C<4>,3|H<1>}	H(CC[5,5,6]HH)	109.4343	0.045	3	109.4343	0.002	3	109.4343	0.002	3	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(H)3	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(H)3	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[5,5,6]HH)	109.4827	0.027	3	109.4827	0.001	3	109.4827	0.001	3	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-2:C-4:	C-4:	C(C[5,5,6]C[5,6]2N[5,5])(H)3	C[5,5,6](C[5,6]C[3,5,6]ReH)(C[5,6]C[5,6]CH)(N[5,5]C[5,5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2N[5,5])(H)3	C[5,5,6](C[5,6]C[3,5,6]ReH)(C[5,6]C[5,6]CH)(N[5,5]C[5,5,6])(CH3){2|C<3>,2|H<2>}	H(CC[5,5,6]HH)	109.3840	3.477	3	109.3840	12.093	3	109.3840	12.093	3	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[5,5,6]HH)	109.4766	0.053	9	109.4766	0.003	9	109.4664	0.002	32	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]C[5,6]CO)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]C[5,6]CO)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3){1|S<2>,2|F<1>,2|H<1>}	H(CC[5,5,6]HH)	109.4803	0.020	3	109.4803	0.000	3	109.4664	0.002	32	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(O[5,5]C[5,5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(O[5,5]C[5,5,6])(CH3){2|C<4>,3|H<1>}	H(CC[5,5,6]HH)	109.4597	0.030	6	109.4597	0.001	6	109.4664	0.002	32	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3){2|C<4>,3|H<1>}	H(CC[5,5,6]HH)	109.4724	0.033	8	109.4724	0.001	8	109.4664	0.002	32	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]O[5,6]HH)2(O[5,5]P[5,5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]O[5,6]HH)2(O[5,5]P[5,5,6])(CH3){1|Ru<6>}	H(CC[5,5,6]HH)	109.4623	0.026	3	109.4430	0.001	6	109.4664	0.002	32	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]O[5,6]HH)2(O[5,5]P[5,5,6])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,5,6](C[5,6]O[5,6]HH)2(O[5,5]P[5,5,6])(CH3){1|Ru<9>}	H(CC[5,5,6]HH)	109.4237	0.040	3	109.4430	0.001	6	109.4664	0.002	32	109.4910	0.586	107	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,6]2)(H)3	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,6]2)(H)3	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]O)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(CC[5,5,6]HH)	109.4593	0.021	3	109.4593	0.000	3	109.4662	0.003	12	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,6]2)(H)3	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,6]2)(H)3	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CC[5,5,6]HH)	109.4684	0.065	9	109.4684	0.004	9	109.4662	0.003	12	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5,6]O)(CH3){1|O<2>,3|C<3>,4|H<1>}	H(CC[5,5,6]HH)	109.4547	0.013	3	109.4547	0.000	3	109.4688	0.001	19	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(CH3){3|C<3>,4|H<1>}	H(CC[5,5,6]HH)	109.4726	0.034	5	109.4726	0.001	5	109.4688	0.001	19	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5,5,6]HH)	109.4630	0.034	2	109.4630	0.001	2	109.4688	0.001	19	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,4|H<1>}	H(CC[5,5,6]HH)	109.4787	0.018	3	109.4787	0.000	3	109.4688	0.001	19	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,4|H<1>}	H(CC[5,5,6]HH)	109.4963	0.016	3	109.4963	0.000	3	109.4688	0.001	19	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]C[5]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]C[5]C)(CH3){1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	H(CC[5,5,6]HH)	109.4433	0.037	3	109.4433	0.001	3	109.4688	0.001	19	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]O)(CH3){2|Cl<1>,2|C<3>,3|H<1>}	H(CC[5,5,6]HH)	109.4713	0.032	3	109.4713	0.001	3	109.4078	0.338	25	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(CC[5,5,6]HH)	109.4887	0.011	3	109.4887	0.000	3	109.4078	0.338	25	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<1>}	H(CC[5,5,6]HH)	108.8933	1.895	3	108.8933	3.591	3	109.4078	0.338	25	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(CC[5,5,6]HH)	109.4776	0.033	8	109.4776	0.001	8	109.4078	0.338	25	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]H)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]H)(CH3){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	H(CC[5,5,6]HH)	109.4730	0.013	3	109.4730	0.000	3	109.4078	0.338	25	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(CC[5,5,6]HH)	109.4790	0.037	5	109.4790	0.001	5	109.4078	0.338	25	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6a]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]H)(C[5,6]C[5,6a]C[6,6a]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,6|C<3>}	H(CC[5,5,6]HH)	109.4660	0.027	6	109.4660	0.001	6	109.4660	0.001	6	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|N<3>,2|C<4>}	H(CC[5,5,6]HH)	109.4613	0.023	12	109.6326	0.128	15	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(CH3){5|H<1>}	H(CC[5,5,6]HH)	110.3180	0.101	3	109.6326	0.128	15	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){1|N<3>,3|H<1>}	H(CC[5,5,6]HH)	109.5170	0.020	2	109.8815	3.687	46	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){1|P<4>,4|H<1>}	H(CC[5,5,6]HH)	109.4622	0.045	5	109.8815	3.687	46	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){5|H<1>}	H(CC[5,5,6]HH)	109.9539	2.081	39	109.8815	3.687	46	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|Br<1>,4|H<1>}	H(CC[5,5,6]HH)	109.4892	0.024	6	109.4732	0.002	68	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|C<3>,3|H<1>}	H(CC[5,5,6]HH)	109.4761	0.038	32	109.4732	0.002	68	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|C<3>,4|H<1>}	H(CC[5,5,6]HH)	109.4944	0.023	5	109.4732	0.002	68	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|N<2>,3|H<1>}	H(CC[5,5,6]HH)	109.4730	0.012	4	109.4732	0.002	68	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|N<3>,3|H<1>}	H(CC[5,5,6]HH)	109.4604	0.038	8	109.4732	0.002	68	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|P<4>,3|H<1>}	H(CC[5,5,6]HH)	109.4675	0.092	6	109.4732	0.002	68	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){5|H<1>}	H(CC[5,5,6]HH)	109.4509	0.042	7	109.4732	0.002	68	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(CH3){4|H<1>}	H(CC[5,5,6]HH)	109.4800	0.037	3	109.4800	0.001	3	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(CH3){1|S<2>,3|H<1>}	H(CC[5,5,6]HH)	109.4740	0.185	6	109.4740	0.034	6	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3){1|C<3>,2|H<1>}	H(CC[5,5,6]HH)	109.3906	0.801	225	109.3917	0.633	228	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3){1|C<4>,2|H<1>}	H(CC[5,5,6]HH)	109.4717	0.027	3	109.3917	0.633	228	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]C)(CH3){2|C<4>,2|H<1>}	H(CC[5,5,6]HH)	109.4692	0.027	13	109.4692	0.001	13	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]O)(CH3){5|H<1>}	H(CC[5,5,6]HH)	109.4574	0.023	7	109.4574	0.001	7	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[5,5,6]HH)	109.4650	0.031	3	109.4650	0.001	3	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CC[5,5,6]HH)	109.4230	0.036	3	109.4230	0.001	3	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]O)(CH3){2|C<4>,3|H<1>}	H(CC[5,5,6]HH)	109.4569	0.028	7	109.4569	0.001	7	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){2|C<4>,3|H<1>}	H(CC[5,5,6]HH)	109.4743	0.041	3	109.4743	0.002	3	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(CH3){1|C<3>,1|C<4>,7|H<1>}	H(CC[5,5,6]HH)	109.4790	0.014	3	109.4790	0.000	3	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	H(CC[5,5,6]HH)	109.6307	3.050	3	109.6503	3.939	6	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3){1|C<4>,1|S<1>,2|H<1>}	H(CC[5,5,6]HH)	109.6700	0.738	3	109.6503	3.939	6	109.4811	0.832	411	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:P[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]P[5,6])(H)3	C[5,5,6](C[5,5]C[5,5,6]CH)(P[5,6]As[5,6]HW)(C[5,6]C[5,6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]P[5,6])(H)3	C[5,5,6](C[5,5]C[5,5,6]CH)(P[5,6]As[5,6]HW)(C[5,6]C[5,6]C)(CH3){1|P<4>,2|C<4>}	H(CC[5,5,6]HH)	109.4577	0.038	3	109.4577	0.001	3	109.4577	0.001	3	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,5]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]O)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]O)(CH3){1|C<4>,3|H<1>,5|C<3>}	H(CC[5,5,6]HH)	109.4713	0.043	3	109.4713	0.002	3	109.4713	0.002	3	109.4760	0.731	479	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:Cl-1:Cl-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(Cl)2(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]Cl2)(C[5,6]C[5,6]ClH)(CCl2H)	H(CC[5,5,6]Cl2)	C(C[5,5,6]C[5,5]C[5,6]2)(Cl)2(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]Cl2)(C[5,6]C[5,6]ClH)(CCl2H){2|Cl<1>,3|H<1>}	H(CC[5,5,6]Cl2)	106.3730	0.000	1	106.3730	0.000	1	108.2003	2.546	3	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:Cl-1:Cl-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(Cl)2(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]HH)(CCl2H)	H(CC[5,5,6]Cl2)	C(C[5,5,6]C[5,5]C[5,6]2)(Cl)2(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]ClH)(C[5,6]C[5,6]HH)(CCl2H){3|Cl<1>,2|H<1>}	H(CC[5,5,6]Cl2)	109.1140	0.287	2	109.1140	0.082	2	108.2003	2.546	3	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3,5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[3,5,5]C[5,6]2)(H)3	C[5,5,6](C[3,5,5]C[3,5]C[5]O[3])(C[5,6]C[5,6]C[5]O)(C[5,6]C[5,6]O[5]H)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3,5,5]C[5,6]2)(H)3	C[5,5,6](C[3,5,5]C[3,5]C[5]O[3])(C[5,6]C[5,6]C[5]O)(C[5,6]C[5,6]O[5]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(CC[5,5,6]HH)	109.4840	0.037	6	109.4840	0.001	6	109.4840	0.001	6	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(H)3	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,5,6]C[3x5,6]C[5]H)(C[5]O[5]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,5,6]C[5])(H)3	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,5,6]C[3x5,6]C[5]H)(C[5]O[5]HH)(CH3){2|H<1>,2|O<2>,4|C<4>}	H(CC[5,5,6]HH)	109.5064	0.037	5	109.5064	0.001	5	109.5064	0.001	5	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[3x5,6]C[3x5,6]C[5]O[5])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[3x5,6]C[3x5,6]C[5]O[5])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(CC[5,5,6]HH)	109.7047	0.758	3	109.7047	0.575	3	109.7047	0.575	3	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)3	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]H)(C[5]C[5]CO)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)3	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]H)(C[5]C[5]CO)(CH3){2|O<2>,3|C<4>,3|H<1>}	H(CC[5,5,6]HH)	111.1410	2.215	3	111.1410	4.907	3	109.8897	1.462	12	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)3	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]O)(C[5]C[5]CH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)3	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]O)(C[5]C[5]CH)(CH3){2|O<2>,3|C<4>,3|H<1>}	H(CC[5,5,6]HH)	109.4620	0.000	1	109.4620	0.000	1	109.8897	1.462	12	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)3	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]O)(C[5]C[5]CO)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)3	C[5,5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O)(C[5,6,6]C[6,6]O[5,6]O)(C[5]C[5]CO)(CH3){2|O<2>,3|C<4>,3|H<1>}	H(CC[5,5,6]HH)	109.4610	0.022	3	109.4610	0.000	3	109.8897	1.462	12	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)3	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[5,5,6,6]C[6]C)(C[5]C[5]HO)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,6,6]C[5])(H)3	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]C)(C[5,6,6]C[5,5,6,6]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(CC[5,5,6]HH)	109.4818	0.040	5	109.4818	0.002	5	109.8897	1.462	12	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,6]2)(H)3	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]O)(C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,6]2)(H)3	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5]O)(C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(CC[5,5,6]HH)	109.4885	0.029	2	109.4885	0.001	2	109.4885	0.001	2	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(H)3	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]HH)(C[5]N[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(H)3	C[5,5,6](C[3x5,6]C[5,6]2O[5,5])(C[5,6]C[5,5,6]HH)(C[5]N[5,6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[5,5,6]HH)	109.4593	0.033	3	109.4593	0.001	3	109.4593	0.001	3	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[4,5,5,6]-4:C[3x5,6]-4:C-4:C-4:	C-4:	C(C[5,5,6]C[4,5,5,6]C[3x5,6]C)(H)3	C[5,5,6](C[4,5,5,6]C[4,5,5,6]C[4,5]H)(C[3x5,6]C[4,3x5]O[5,6]H)(CH3)2	H(CC[5,5,6]HH)	C(C[5,5,6]C[4,5,5,6]C[3x5,6]C)(H)3	C[5,5,6](C[4,5,5,6]C[4,5,5,6]C[4,5]H)(C[3x5,6]C[4,3x5]O[5,6]H)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	H(CC[5,5,6]HH)	109.4676	0.021	5	109.4676	0.000	5	109.4676	0.000	5	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[4,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[4,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[4,5,6]C[5,6]C[4]O[4])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[4,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[4,5,6]C[5,6]C[4]O[4])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|P<5>,6|H<1>}	H(CC[5,5,6]HH)	109.4193	0.040	3	109.4193	0.002	3	109.4193	0.002	3	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6])(H)3	C[5,5,6](C[5,5,6,6]C[6,6]O[5,6]2)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6])(H)3	C[5,5,6](C[5,5,6,6]C[6,6]O[5,6]2)(C[3x5,6]C[5,5,6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(CC[5,5,6]HH)	109.4540	0.044	3	109.4540	0.002	3	109.4540	0.002	3	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)3	C[5,5,6](C[5,5,6,6]C[5,6]2C[6,6])(C[5,5,6]C[5,6]O[5,6]C)(C[6]C[6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)3	C[5,5,6](C[5,5,6,6]C[5,6]2C[6,6])(C[5,5,6]C[5,6]O[5,6]C)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(CC[5,5,6]HH)	109.4392	0.037	6	109.4392	0.001	6	109.4439	0.001	9	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)3	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]O[5,6])(C[5,5,6]C[5,6]O[5,6]C)(C[6]C[6]HO)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)3	C[5,5,6](C[5,5,6,6]C[5,6]C[6,6]O[5,6])(C[5,5,6]C[5,6]O[5,6]C)(C[6]C[6]HO)(CH3){2|C<4>,5|H<1>}	H(CC[5,5,6]HH)	109.4533	0.017	3	109.4533	0.000	3	109.4439	0.001	9	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(CC[5,5,6]HH)	110.7237	2.303	3	110.7237	5.305	3	110.7237	5.305	3	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(CH3){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(CC[5,5,6]HH)	109.4613	0.041	3	109.4613	0.002	3	109.5221	0.061	43	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|O<2>,6|H<1>}	H(CC[5,5,6]HH)	109.4533	0.032	3	109.4533	0.001	3	109.5221	0.061	43	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|Se<2>,1|N<3>,6|H<1>}	H(CC[5,5,6]HH)	109.4877	0.055	3	109.4877	0.003	3	109.5221	0.061	43	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CC)(CH3){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(CC[5,5,6]HH)	110.3650	0.325	3	110.3650	0.106	3	109.5221	0.061	43	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,4|H<1>}	H(CC[5,5,6]HH)	109.4592	0.039	20	109.4592	0.002	20	109.5221	0.061	43	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6]C[5]S[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6]C[5]S[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|O<1>,3|C<4>,6|H<1>}	H(CC[5,5,6]HH)	109.4790	0.011	3	109.4790	0.000	3	109.5221	0.061	43	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6]O[5]2)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<4>,5|H<1>}	H(CC[5,5,6]HH)	109.4352	0.033	6	109.4352	0.001	6	109.5221	0.061	43	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,6a]2C[5,6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	H(CC[5,5,6]HH)	109.4575	0.013	2	109.4575	0.000	2	109.5221	0.061	43	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]2)(H)3	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]O[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6]2)(H)3	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[5,6]O[5,6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CC[5,5,6]HH)	109.4660	0.040	3	109.4660	0.002	3	109.4762	0.002	6	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]2)(H)3	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6]2)(H)3	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(C[5,6]C[5,6,6]HH)(CH3){1|C<3>,1|C<4>,5|H<1>}	H(CC[5,5,6]HH)	109.4863	0.056	3	109.4863	0.003	3	109.4762	0.002	6	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]C[5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6]C[5])(H)3	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(CC[5,5,6]HH)	109.4845	0.008	2	109.4845	0.000	2	109.7820	0.615	20	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]C[5])(H)3	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]O[5]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6]C[5])(H)3	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]C)(C[5]O[5]HH)(CH3){1|O<2>,3|C<4>,4|H<1>}	H(CC[5,5,6]HH)	109.4609	0.060	12	109.4609	0.004	12	109.7820	0.615	20	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]C[5])(H)3	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5,6]C[5,6]C[5])(H)3	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(CC[5,5,6]HH)	110.5232	1.178	6	110.5232	1.388	6	109.7820	0.615	20	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[3x5,6]HO)(C[5,6]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(CC[5,5,6]HH)	109.4889	0.066	7	109.4889	0.004	7	109.7823	2.675	219	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3){1|C<3>,2|C<4>,2|O<2>}	H(CC[5,5,6]HH)	109.4592	0.039	6	109.4691	0.002	15	109.7823	2.675	219	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6,6]HH)(C[5,6]C[5,6,6]CH)(C[5,6]C[5,6,6]HO)(CH3){1|H<1>,1|O<2>,3|C<4>}	H(CC[5,5,6]HH)	109.4758	0.048	9	109.4691	0.002	15	109.7823	2.675	219	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CH3){2|O<2>,3|H<1>}	H(CC[5,5,6]HH)	110.6826	3.878	9	110.6826	15.041	9	109.7823	2.675	219	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3){4|H<1>}	H(CC[5,5,6]HH)	111.7430	1.852	3	109.5920	0.351	66	109.7823	2.675	219	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3){5|H<1>}	H(CC[5,5,6]HH)	109.4896	0.151	63	109.5920	0.351	66	109.7823	2.675	219	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]ClH)2(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]ClH)2(CH3){5|H<1>}	H(CC[5,5,6]HH)	109.4490	0.032	3	109.4490	0.001	3	109.7823	2.675	219	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(CH3){5|H<1>}	H(CC[5,5,6]HH)	109.6537	0.753	26	109.6537	0.567	26	109.7823	2.675	219	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|C<3>,1|O<2>,3|H<1>}	H(CC[5,5,6]HH)	109.4740	0.008	2	109.4972	0.025	55	109.7823	2.675	219	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|C<4>,4|H<1>}	H(CC[5,5,6]HH)	109.4556	0.049	8	109.4972	0.025	55	109.7823	2.675	219	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|N<3>,4|H<1>}	H(CC[5,5,6]HH)	109.5120	0.126	7	109.4972	0.025	55	109.7823	2.675	219	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|S<3>,4|H<1>}	H(CC[5,5,6]HH)	109.4823	0.051	9	109.4972	0.025	55	109.7823	2.675	219	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){1|Se<3>,4|H<1>}	H(CC[5,5,6]HH)	109.4717	0.036	3	109.4972	0.025	55	109.7823	2.675	219	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){5|H<1>}	H(CC[5,5,6]HH)	109.5158	0.219	26	109.4972	0.025	55	109.7823	2.675	219	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]SnH)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]SnH)(C[5,6]C[5,6]HH)(CH3){5|H<1>}	H(CC[5,5,6]HH)	113.3464	5.803	9	113.3464	33.674	9	109.7823	2.675	219	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]CO)(C[5,6]C[5,6]CO)(C[5,6]C[5,6]HH)(CH3){5|H<1>}	H(CC[5,5,6]HH)	109.4568	0.054	5	109.4568	0.003	5	109.7823	2.675	219	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>}	H(CC[5,5,6]HH)	109.4407	0.015	3	109.4407	0.000	3	109.7823	2.675	219	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CH3){2|C<4>,3|H<1>}	H(CC[5,5,6]HH)	109.8687	1.064	21	109.8687	1.132	21	109.7823	2.675	219	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[5,5,6]HH)	109.4614	0.024	5	109.4614	0.001	5	109.4660	0.035	75	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(CC[5,5,6]HH)	109.5035	0.019	2	109.4689	0.001	63	109.4660	0.035	75	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|N<2>,3|H<1>}	H(CC[5,5,6]HH)	109.4670	0.038	49	109.4689	0.001	63	109.4660	0.035	75	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,4|H<1>}	H(CC[5,5,6]HH)	109.4815	0.026	2	109.4689	0.001	63	109.4660	0.035	75	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|P<3>,4|H<1>}	H(CC[5,5,6]HH)	109.4654	0.022	5	109.4689	0.001	63	109.4660	0.035	75	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|P<4>,4|H<1>}	H(CC[5,5,6]HH)	109.4720	0.029	5	109.4689	0.001	63	109.4660	0.035	75	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[5,6]N[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[5,6]N[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	H(CC[5,5,6]HH)	109.4612	0.038	4	109.4612	0.001	4	109.4660	0.035	75	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[6,6a]C[5,6]O[6])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	H(CC[5,5,6]HH)	109.4197	1.119	3	109.4197	1.252	3	109.4660	0.035	75	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,5]-4:C-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,5]O[5]2H)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(CC[5,5,6]HH)	109.4512	0.032	6	109.4512	0.001	6	109.4512	0.001	6	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[4]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[4]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|Co<9>,2|C<4>,5|H<1>}	H(CC[5,5,6]HH)	109.4428	0.045	4	109.4428	0.002	4	109.5169	0.359	96	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[5a]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[5a]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|N<2>,1|N<3>,5|H<1>}	H(CC[5,5,6]HH)	109.4638	0.041	6	109.4638	0.002	6	109.5169	0.359	96	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[6]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<4>,6|H<1>}	H(CC[5,5,6]HH)	109.4840	0.018	2	109.4840	0.000	2	109.5169	0.359	96	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<3>,5|H<1>}	H(CC[5,5,6]HH)	109.4645	0.021	2	109.4645	0.000	2	109.5169	0.359	96	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HN)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HN)(CH3){2|C<3>,5|H<1>}	H(CC[5,5,6]HH)	109.4618	0.023	5	109.4618	0.001	5	109.5169	0.359	96	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<3>,5|H<1>}	H(CC[5,5,6]HH)	108.8207	1.826	3	108.8207	3.334	3	109.5169	0.359	96	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]C[6a]O)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(CC[5,5,6]HH)	109.4740	0.054	41	109.4740	0.003	41	109.5169	0.359	96	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]N[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CC[5,5,6]HH)	109.4753	0.023	3	109.4753	0.001	3	109.5169	0.359	96	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]N[5a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]N[5a]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){2|C<3>,5|H<1>}	H(CC[5,5,6]HH)	109.4785	0.041	6	109.4785	0.002	6	109.5169	0.359	96	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|C<4>,5|H<1>}	H(CC[5,5,6]HH)	109.4280	0.038	5	109.4280	0.001	5	109.5169	0.359	96	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CC[5,5,6]HH)	109.5173	0.035	3	109.5120	0.001	6	109.5169	0.359	96	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){3|H<1>,4|C<4>}	H(CC[5,5,6]HH)	109.5067	0.037	3	109.5120	0.001	6	109.5169	0.359	96	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6]HH)(CH3){2|H<1>,5|C<3>}	H(CC[5,5,6]HH)	111.5997	2.510	3	111.5997	6.302	3	109.5169	0.359	96	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3){1|Cr<6>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(CC[5,5,6]HH)	109.4495	0.009	2	109.4653	0.001	10	109.5169	0.359	96	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3){1|H<1>,1|O<2>,1|W<6>,2|C<4>,3|C<3>}	H(CC[5,5,6]HH)	109.4617	0.017	3	109.4653	0.001	10	109.5169	0.359	96	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3)	H(CC[5,5,6]HH)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5,6](C[5,6]P[5,6]C[6a]H)(C[5,5]C[5]O[5]C)(C[5,6]C[5]C[6]C)(CH3){1|Mo<6>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(CC[5,5,6]HH)	109.4738	0.052	5	109.4653	0.001	10	109.5169	0.359	96	109.6357	1.321	522	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	3:2:3:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OSi)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OSi)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHO){2|C<3>,3|H<1>}	H(CC[5,5,6]HO)	109.2280	0.000	1	109.2280	0.000	1	109.2280	0.000	1	109.2280	0.000	1	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	3:4:2:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5a,6]-3:C[5,5]-4:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5a,6]C[5,5]O[5,6])(OH)(H)2	C[5,5,6](C[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5a,6]C[5,5]O[5,6])(OH)(H)2	C[5,5,6](C[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO){1|N<3>,2|N<2>,3|H<1>}	H(CC[5,5,6]HO)	110.0635	0.013	2	110.0635	0.000	2	109.9638	0.013	4	110.0746	0.072	5	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	3:4:2:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5a,6]-3:C[5,5]-4:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5a,6]C[5,5]O[5,6])(OH)(H)2	C[5,5,6](C[5,5a,6]N[5,5a,6]N[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5a,6]C[5,5]O[5,6])(OH)(H)2	C[5,5,6](C[5,5a,6]N[5,5a,6]N[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>,2|N<2>}	H(CC[5,5,6]HO)	109.8640	0.017	2	109.8640	0.000	2	109.9638	0.013	4	110.0746	0.072	5	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	3:4:2:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OC)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OC)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO){3|C<3>,3|H<1>}	H(CC[5,5,6]HO)	110.5180	0.000	1	110.5180	0.000	1	110.5180	0.000	1	110.0746	0.072	5	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,6]2N[5,5])(OC)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,6]2N[5,5])(OC)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO){5|H<1>}	H(CC[5,5,6]HO)	109.9251	0.179	8	109.9251	0.032	8	109.7649	0.379	15	109.7649	0.379	15	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,6]2N[5,5])(OC)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,6]2N[5,5])(OC)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CHHO){1|C<3>,4|H<1>}	H(CC[5,5,6]HO)	110.2120	0.510	4	110.2120	0.260	4	109.7649	0.379	15	109.7649	0.379	15	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,6]2N[5,5])(OH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,6]2N[5,5])(OH)(H)2	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO){5|H<1>}	H(CC[5,5,6]HO)	108.7413	0.274	3	108.7413	0.075	3	109.7649	0.379	15	109.7649	0.379	15	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	4:2:2:4:	4:	C[5,5,6]-4:C-2:H-1:H-1:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CN)(H)2	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CN)(H)2	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CCHH){1|C<4>,1|H<1>,1|O<2>}	H(CC[5,5,6]CH)	109.4510	0.000	1	109.4510	0.000	1	109.4510	0.000	1	109.4510	0.000	1	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	4:2:3:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(CC[5,5,6]HO)	109.8057	0.772	7	109.8363	0.730	11	109.8363	0.730	11	109.8363	0.730	11	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	4:2:3:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	H(CC[5,5,6]HO)	109.8897	1.111	4	109.8363	0.730	11	109.8363	0.730	11	109.8363	0.730	11	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(CC[5,5,6]HO)	109.8358	0.082	4	109.8358	0.007	4	109.5261	0.129	8	109.5374	0.312	25	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(CC[5,5,6]HO)	109.2165	0.194	4	109.2165	0.038	4	109.5261	0.129	8	109.5374	0.312	25	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HN)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HN)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	H(CC[5,5,6]HO)	110.4720	0.030	2	110.4720	0.001	2	109.5427	0.412	17	109.5374	0.312	25	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<3>,1|N<3>,2|H<1>}	H(CC[5,5,6]HO)	109.8160	0.027	2	109.8160	0.001	2	109.5427	0.412	17	109.5374	0.312	25	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CH)(O[5,6]C[5,6])(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	H(CC[5,5,6]HO)	109.2890	0.042	2	109.2890	0.002	2	109.5427	0.412	17	109.5374	0.312	25	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<3>,2|H<1>}	H(CC[5,5,6]HO)	108.4115	0.899	2	109.2254	0.624	7	109.5427	0.412	17	109.5374	0.312	25	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	H(CC[5,5,6]HO)	109.5510	0.520	5	109.2254	0.624	7	109.5427	0.412	17	109.5374	0.312	25	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OS)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OS)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<4>,1|H<1>,1|N<3>}	H(CC[5,5,6]HO)	109.7890	0.016	2	109.7890	0.000	2	109.5427	0.412	17	109.5374	0.312	25	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OSi)(H)2	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OSi)(H)2	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[5,5,6]HO)	109.4580	0.013	2	109.4580	0.000	2	109.5427	0.412	17	109.5374	0.312	25	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	4:4:3:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(OH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5,6]2C[5])(OH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,4|H<1>}	H(CC[5,5,6]HO)	110.0670	0.014	2	110.0670	0.000	2	110.0670	0.000	2	110.0670	0.000	2	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5,6]-4:N-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(NC)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHN)	H(CC[5,5,6]HN)	C(C[5,5,6]C[5,5]C[5,6]2)(NC)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHN){5|H<1>}	H(CC[5,5,6]HN)	108.9000	0.503	2	108.9000	0.253	2	108.9000	0.253	2	109.4350	0.188	7	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(OSi)(H)2	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,5]C[5,6]2)(OSi)(H)2	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]C[5,5,6]HO)(C[5,6]C[5,6]HH)(CHHO){2|C<4>,3|H<1>}	H(CC[5,5,6]HO)	109.6780	0.134	4	109.6780	0.018	4	109.6780	0.018	4	109.4350	0.188	7	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(OSi)(H)2	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(CHHO)	H(CC[5,5,6]HO)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(OSi)(H)2	C[5,5,6](C[5,6,6]C[5,5,6,6]O[6]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]HH)(CHHO){3|C<4>,3|H<1>}	H(CC[5,5,6]HO)	109.5330	0.000	1	109.5330	0.000	1	109.5330	0.000	1	109.4350	0.188	7	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	2:3:3:4:	4:	C[5,5,6]-4:C-3:H-1:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)2	C[5,5,6](O[5,5]C[5,5,3x6])(C[5,6]C[5,3x6]O)(C[5,6]C[5,6,6]O)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)2	C[5,5,6](O[5,5]C[5,5,3x6])(C[5,6]C[5,3x6]O)(C[5,6]C[5,6,6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>}	H(CC[5,5,6]CH)	108.6510	0.007	2	108.6510	0.000	2	108.6510	0.000	2	107.8900	0.883	4	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	2:3:3:4:	4:	C[5,5,6]-4:N-3:H-1:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(NHS)(H)2	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CHHN)	H(CC[5,5,6]HN)	C(C[5,5,6]C[5,6]2O[5,5])(NHS)(H)2	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CHHN){1|C<3>,2|H<1>}	H(CC[5,5,6]HN)	107.1290	0.577	2	107.1290	0.333	2	107.1290	0.333	2	107.8900	0.883	4	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	3:2:3:4:	4:	C[5,5,6]-4:N-3:H-1:H-1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NHS)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHN)	H(CC[5,5,6]HN)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NHS)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHN){1|C<4>,1|H<1>,3|C<3>}	H(CC[5,5,6]HN)	109.8615	0.028	2	109.8615	0.001	2	109.8615	0.001	2	109.8615	0.001	2	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	3:4:2:4:	4:	C[5,5,6]-4:N-3:H-1:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NHS)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(CHHN)	H(CC[5,5,6]HN)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NHS)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(CHHN){2|C<3>,2|C<4>,2|H<1>}	H(CC[5,5,6]HN)	109.1552	0.156	4	109.1552	0.024	4	109.1552	0.024	4	109.1552	0.024	4	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	4:2:2:4:	4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CCO)(H)2	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CCO)(H)2	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH){1|C<4>,1|O<2>,3|H<1>}	H(CC[5,5,6]CH)	107.9555	0.019	2	107.9555	0.000	2	107.9555	0.000	2	107.9555	0.000	2	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	4:2:3:4:	4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(CCC)(H)2	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]2O[5,5])(CCC)(H)2	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCHH){1|H<1>,3|C<4>}	H(CC[5,5,6]CH)	109.9073	0.079	4	109.9073	0.006	4	109.2579	0.250	12	109.1483	0.157	23	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	4:2:3:4:	4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)2	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)2	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(CCHH){1|O<2>,4|H<1>}	H(CC[5,5,6]CH)	108.9333	0.168	8	108.9333	0.028	8	109.2579	0.250	12	109.1483	0.157	23	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	4:2:3:4:	4:	C[5,5,6]-4:N-3:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(NCS)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]C)(CHHN)	H(CC[5,5,6]HN)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(NCS)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]C)(CHHN){1|H<1>,2|C<3>,2|C<4>}	H(CC[5,5,6]HN)	109.1123	0.207	7	109.1123	0.043	7	109.1123	0.043	7	109.1483	0.157	23	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	4:2:3:4:	4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(N[5]C[5]2)(H)2	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CN[5]HH)	H(CC[5,5,6]N[5]H)	C(C[5,5,6]C[5,6]2O[5,5])(N[5]C[5]2)(H)2	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CN[5]HH){2|C<4>,2|H<1>}	H(CC[5,5,6]N[5]H)	108.8825	0.051	4	108.8825	0.003	4	108.8825	0.003	4	109.1483	0.157	23	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C-3:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(COO)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(COO)(H)2	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(CCHH){1|C<3>,4|H<1>}	H(CC[5,5,6]CH)	108.3535	0.011	2	108.3535	0.000	2	108.3535	0.000	2	108.3844	0.068	24	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(CCC)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]2C[5])(CCC)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(CC[5,5,6]CH)	108.6535	0.023	2	108.6535	0.001	2	108.5436	0.014	10	108.3844	0.068	24	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(CCH)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]2C[5])(CCH)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH){1|C<3>,2|C<4>,6|H<1>}	H(CC[5,5,6]CH)	108.4303	0.052	4	108.5161	0.014	8	108.5436	0.014	10	108.3844	0.068	24	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(CCH)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]2C[5])(CCH)(H)2	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH){1|C<3>,3|C<4>,5|H<1>}	H(CC[5,5,6]CH)	108.6020	0.101	4	108.5161	0.014	8	108.5436	0.014	10	108.3844	0.068	24	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCC)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]C)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCC)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]C)(CCHH){1|C<3>,2|C<4>,3|H<1>}	H(CC[5,5,6]CH)	107.9458	0.050	4	107.9458	0.002	4	107.9458	0.002	4	108.3844	0.068	24	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(CCH)(H)2	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5]C[5,6]2)(CCH)(H)2	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(CCHH){1|O<2>,2|C<4>,6|H<1>}	H(CC[5,5,6]CH)	108.4035	0.097	4	108.4035	0.009	4	108.4035	0.009	4	108.3844	0.068	24	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(CBrC)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(CBrC)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CCHH){1|O<1>,2|C<3>,3|H<1>}	H(CC[5,5,6]CH)	108.1220	0.024	2	108.1220	0.001	2	108.1220	0.001	2	108.3844	0.068	24	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(C[6a]C[6a]2)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CC[6a]HH)	H(CC[5,5,6]C[6a]H)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(C[6a]C[6a]2)(H)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CC[6a]HH){1|O<1>,2|C<3>,3|H<1>}	H(CC[5,5,6]C[6a]H)	108.7205	0.013	2	108.7205	0.000	2	108.7205	0.000	2	108.3844	0.068	24	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5,6]-4:N-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(NCC)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHN)	H(CC[5,5,6]HN)	C(C[5,5,6]C[5,5]C[5,6]2)(NCC)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHN){5|H<1>}	H(CC[5,5,6]HN)	106.4695	1.519	4	106.4695	2.307	4	107.1832	2.642	6	108.0523	2.113	12	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5,6]-4:N-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(NC[6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHN)	H(CC[5,5,6]HN)	C(C[5,5,6]C[5,5]C[5,6]2)(NC[6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHN){5|H<1>}	H(CC[5,5,6]HN)	108.6105	0.422	2	108.6105	0.178	2	107.1832	2.642	6	108.0523	2.113	12	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5,6]-4:S-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(SC[6]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS)	H(CC[5,5,6]HS)	C(C[5,5,6]C[5,5]C[5,6]2)(SC[6]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS){5|H<1>}	H(CC[5,5,6]HS)	109.3710	0.038	2	109.3710	0.001	2	108.9213	0.194	6	108.0523	2.113	12	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5,6]-4:S-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(SC[6a]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS)	H(CC[5,5,6]HS)	C(C[5,5,6]C[5,5]C[5,6]2)(SC[6a]O)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS){5|H<1>}	H(CC[5,5,6]HS)	108.6965	0.348	4	108.6965	0.121	4	108.9213	0.194	6	108.0523	2.113	12	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	2:3:3:4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(CC[5]HH)(H)2	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]2O[5,5])(CC[5]HH)(H)2	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[5,5,6]CH)	108.7000	0.017	2	108.7000	0.000	2	108.5095	0.049	4	108.5095	0.049	4	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	2:3:3:4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(CC[6]HH)(H)2	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]2O[5,5])(CC[6]HH)(H)2	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH){1|C<3>,2|H<1>}	H(CC[5,5,6]CH)	108.3190	0.023	2	108.3190	0.001	2	108.5095	0.049	4	108.5095	0.049	4	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-4:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]2C[5,5])(CCHH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]SnO)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6,6a]2C[5,5])(CCHH)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]SnO)(CCHH){1|C<4>,2|H<1>,4|C<3>}	H(CC[5,5,6]CH)	108.2147	0.140	3	108.2147	0.020	3	108.2675	0.036	8	108.2675	0.036	8	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-4:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]2C[5,5])(CH3)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]SnO)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6,6a]2C[5,5])(CH3)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]SnO)(CCHH){1|C<4>,2|H<1>,4|C<3>}	H(CC[5,5,6]CH)	108.2992	0.222	5	108.2992	0.049	5	108.2675	0.036	8	108.2675	0.036	8	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	4:2:2:4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CHHO)(H)2	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CHHO)(H)2	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH){1|C<4>,1|O<2>,3|H<1>}	H(CC[5,5,6]CH)	108.6865	0.054	2	108.6865	0.003	2	108.6865	0.003	2	108.6865	0.003	2	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	4:2:3:4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(CC[5,5,6]CH)	108.5080	0.891	5	108.5080	0.794	5	108.5080	0.794	5	108.7661	0.498	9	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	4:2:3:4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(CC[6a]HH)(H)2	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]2O[5,5])(CC[6a]HH)(H)2	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH){1|C<4>,3|H<1>}	H(CC[5,5,6]CH)	109.2105	0.006	2	109.2105	0.000	2	109.0888	0.020	4	108.7661	0.498	9	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	4:2:3:4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6]2O[5,5])(CH3)(H)2	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,6]2O[5,5])(CH3)(H)2	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CCHH){1|C<3>,1|C<4>,2|H<1>}	H(CC[5,5,6]CH)	108.9670	0.004	2	108.9670	0.000	2	109.0888	0.020	4	108.7661	0.498	9	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:B[5,5]-3:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]B[5,5]C[5,6])(CH3)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]B[5]C)(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]B[5,5]C[5,6])(CH3)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]B[5]C)(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CCHH){3|C<4>,5|C<3>}	H(CC[5,5,6]CH)	108.2230	0.030	2	108.2230	0.001	2	108.1793	0.006	3	108.1802	0.003	6	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:B[5,5]-3:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]B[5,5]C[5,6])(CH3)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]B[5,5]C[5,6])(CH3)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CCHH){1|B<3>,3|C<3>,4|C<4>}	H(CC[5,5,6]CH)	108.0920	0.000	1	108.0920	0.000	1	108.1793	0.006	3	108.1802	0.003	6	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:S[5,5]-3:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]S[5,5])(CCHH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]C[5,6]S[5,5])(CCHH)(H)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CCHH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(CC[5,5,6]CH)	108.1620	0.010	2	108.1620	0.000	2	108.1620	0.000	2	108.1802	0.003	6	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(H)2	C[5,5,6](C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(H)2	C[5,5,6](C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCHH){1|C<3>,3|H<1>}	H(CC[5,5,6]CH)	108.2190	0.000	1	108.2190	0.000	1	108.2190	0.000	1	108.1802	0.003	6	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,5]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,3x6]C[5,6,6a]C[5,5])(CC[5,5,6]HH)(H)2	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,3x6]C[5,6,6a]C[5,5])(CC[5,5,6]HH)(H)2	C[5,5,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]HH)(CCHH){1|C<4>,2|H<1>,7|C<3>}	H(CC[5,5,6]CH)	107.8725	0.034	4	107.8725	0.001	4	107.8725	0.001	4	107.7442	0.019	8	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(CN[5]HH)(H)2	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(CN[5]HH)(H)2	C[5,5,6](C[5,5,6]C[6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)(CCHH){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(CC[5,5,6]CH)	107.6160	0.016	4	107.6160	0.000	4	107.6160	0.000	4	107.7442	0.019	8	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:B[5]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]2B[5])(CH3)(H)2	C[5,5,6](C[5,5,6]B[5,5]C[5,6]C)(C[5,5,6]C[5,5,6]C[5]C)(B[5]C[6a]C[5])(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]2B[5])(CH3)(H)2	C[5,5,6](C[5,5,6]B[5,5]C[5,6]C)(C[5,5,6]C[5,5,6]C[5]C)(B[5]C[6a]C[5])(CCHH){4|C<3>,4|C<4>}	H(CC[5,5,6]CH)	108.5540	0.038	2	108.5540	0.001	2	108.5540	0.001	2	107.6522	0.388	176	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(CH3)(H)2	C[5,5,6](C[5,5,6]B[5,5]C[5,6]C)(C[5,5,6]C[5,5,6]B[5]C)(C[5]C[5]C)(CCHH)	H(CC[5,5,6]CH)	C(C[5,5,6]C[5,5,6]2C[5])(CH3)(H)2	C[5,5,6](C[5,5,6]B[5,5]C[5,6]C)(C[5,5,6]C[5,5,6]B[5]C)(C[5]C[5]C)(CCHH){3|C<3>,3|C<4>}	H(CC[5,5,6]CH)	108.1985	0.042	2	108.1985	0.002	2	108.1985	0.002	2	107.6522	0.388	176	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:S-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(SNOO)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS)	H(CC[5,5,6]HS)	C(C[5,5,6]C[5,5]C[5,6]2)(SNOO)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS){5|H<1>}	H(CC[5,5,6]HS)	107.9828	1.195	14	107.9828	1.429	14	107.6354	0.383	172	107.6522	0.388	176	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:S-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(SN[5]OO)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS)	H(CC[5,5,6]HS)	C(C[5,5,6]C[5,5]C[5,6]2)(SN[5]OO)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS){5|H<1>}	H(CC[5,5,6]HS)	107.6090	0.007	4	107.6090	0.000	4	107.6354	0.383	172	107.6522	0.388	176	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:S-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(SN[5a]OO)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS)	H(CC[5,5,6]HS)	C(C[5,5,6]C[5,5]C[5,6]2)(SN[5a]OO)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS){5|H<1>}	H(CC[5,5,6]HS)	108.0640	0.037	2	108.0640	0.001	2	107.6354	0.383	172	107.6522	0.388	176	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:S-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(SN[6]OO)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS)	H(CC[5,5,6]HS)	C(C[5,5,6]C[5,5]C[5,6]2)(SN[6]OO)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS){5|H<1>}	H(CC[5,5,6]HS)	108.0435	0.201	6	108.0435	0.040	6	107.6354	0.383	172	107.6522	0.388	176	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5,6]-4:S-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(SO3)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS)	H(CC[5,5,6]HS)	C(C[5,5,6]C[5,5]C[5,6]2)(SO3)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS){5|H<1>}	H(CC[5,5,6]HS)	107.5801	0.546	146	107.5801	0.299	146	107.6354	0.383	172	107.6522	0.388	176	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:S-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(SNOO)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS)	H(CC[5,5,6]HS)	C(C[5,5,6]C[5,5]C[5,6]2)(SNOO)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS){5|H<1>}	H(CC[5,5,6]HS)	108.3638	0.267	6	108.3638	0.071	6	108.2943	0.064	10	108.2943	0.064	10	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:S-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(SNOO)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(CHHS)	H(CC[5,5,6]HS)	C(C[5,5,6]C[5,5]C[5,6]2)(SNOO)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(CHHS){5|H<1>}	H(CC[5,5,6]HS)	108.3790	0.020	2	108.3790	0.000	2	108.2943	0.064	10	108.2943	0.064	10	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:S-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(SO3)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS)	H(CC[5,5,6]HS)	C(C[5,5,6]C[5,5]C[5,6]2)(SO3)(H)2	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS){5|H<1>}	H(CC[5,5,6]HS)	108.0010	0.004	2	108.0010	0.000	2	108.2943	0.064	10	108.2943	0.064	10	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,5,6]-4:C-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(CH3)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CCHO)	H(CC[5,5,6]CO)	C(C[5,5,6]C[5,5]C[5,6]2)(CH3)(OH)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CCHO){5|H<1>}	H(CC[5,5,6]CO)	108.4785	1.071	2	108.4785	1.148	2	108.4785	1.148	2	108.4785	1.148	2	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:3:1:	4:3:2:4:	4:	C[5,5,6]-4:C-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-3:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH3)(CCO)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]H)(O[5,6]O[5,6])(CCCH)	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH3)(CCO)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]H)(O[5,6]O[5,6])(CCCH){1|O<2>,2|C<4>,2|H<1>}	H(CC[5,5,6]CC)	108.1290	0.000	1	108.1290	0.000	1	108.1290	0.000	1	108.1290	0.000	1	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,5,6]-4:C-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[5,6]-4:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,6]2)(CH3)(COO)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]HH)(CCCH)	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5,6]C[5,6]2)(CH3)(COO)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]HH)(CCCH){1|C<3>,2|C<4>,5|H<1>}	H(CC[5,5,6]CC)	108.9880	0.000	1	108.9880	0.000	1	108.9880	0.000	1	108.9880	0.000	1	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:4:1:	3:2:3:4:	4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(CH3)2(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCCH)	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(CH3)2(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCCH){1|C<4>,2|C<3>,3|H<1>}	H(CC[5,5,6]CC)	106.8070	0.000	1	106.8070	0.000	1	106.8070	0.000	1	106.8070	0.000	1	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:4:1:	4:3:3:4:	4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCHH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCCH)	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCHH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CC[5,5,6]CC)	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:4:1:	4:4:2:4:	4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(CH3)2(H)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CCCH)	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(CH3)2(H)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CCCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5,5,6]CC)	107.5410	0.000	1	107.5410	0.000	1	107.5410	0.000	1	107.5410	0.000	1	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(CCHH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCCH)	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5,6]2C[5])(CCHH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCCH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(CC[5,5,6]CC)	106.0570	0.372	2	106.3080	0.258	3	106.3080	0.258	3	106.3963	0.413	12	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]2C[5])(CCHH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCCH)	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5,6]2C[5])(CCHH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCCH){1|C<3>,2|O<1>,3|C<4>}	H(CC[5,5,6]CC)	106.8100	0.000	1	106.3080	0.258	3	106.3080	0.258	3	106.3963	0.413	12	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCHH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCHH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CC[5,5,6]CC)	107.1665	0.023	2	107.1665	0.001	2	106.7514	0.540	5	106.3963	0.413	12	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH)	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(CC[5,5,6]CC)	107.4670	0.000	1	107.4670	0.000	1	106.7514	0.540	5	106.3963	0.413	12	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(CC[5,5,6]CC)	105.7450	0.000	1	105.7450	0.000	1	106.7514	0.540	5	106.3963	0.413	12	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(CC[5,5,6]CC)	106.2120	0.000	1	106.2120	0.000	1	106.7514	0.540	5	106.3963	0.413	12	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,5,6]C[5,5]C[5,6]2)(CC[5]HH)(CH3)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH)	H(CC[5,5,6]CC)	C(C[5,5,6]C[5,5]C[5,6]2)(CC[5]HH)(CH3)(H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH){1|C<3>,1|H<1>,2|C<4>}	H(CC[5,5,6]CC)	106.0185	0.461	4	106.0185	0.212	4	106.0185	0.212	4	106.3963	0.413	12	109.2791	1.325	1917	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:2:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	C-4:	C(C[5,5]N[5,5]N[5]O[5])(H)3	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CH3)	H(CC[5,5]HH)	C(C[5,5]N[5,5]N[5]O[5])(H)3	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[5,5]HH)	109.4980	0.038	5	109.4980	0.001	5	109.4980	0.001	5	109.4980	0.001	5	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:3:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]N[5,5]C[5]O[5])(H)3	C[5,5](N[5,5]C[5]2)(C[5]C[5]O)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]N[5,5]C[5]O[5])(H)3	C[5,5](N[5,5]C[5]2)(C[5]C[5]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>,4|H<1>}	H(CC[5,5]HH)	109.4650	0.011	2	109.4650	0.000	2	109.4650	0.000	2	109.4694	0.001	11	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:3:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	N[5,5]-3:N[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]N[5,5]N[5]O[5])(H)3	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]N[5,5]N[5]O[5])(H)3	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3){1|N<3>,2|C<4>,2|H<1>}	H(CC[5,5]HH)	109.4660	0.016	3	109.4703	0.002	9	109.4703	0.002	9	109.4694	0.001	11	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:3:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	N[5,5]-3:N[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]N[5,5]N[5]O[5])(H)3	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]N[5,5]N[5]O[5])(H)3	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3){2|H<1>,3|C<4>}	H(CC[5,5]HH)	109.4725	0.050	6	109.4703	0.002	9	109.4703	0.002	9	109.4694	0.001	11	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-3:As[5]-3:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]As[5]C[5])(H)3	C[5,5](C[5,5]Si[5]C[5])(As[5]N[5]Cl)(C[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]As[5]C[5])(H)3	C[5,5](C[5,5]Si[5]C[5])(As[5]N[5]Cl)(C[5]C[5]C)(CH3){5|C<4>}	H(CC[5,5]HH)	111.0993	0.427	6	111.0993	0.183	6	111.0993	0.183	6	109.9229	0.588	22	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5,6a]-3:N[5]-3:C-4:	C-4:	C(C[5,5]C[5,5,6a]C[5,6a]N[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(N[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6a]C[5,6a]N[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(N[5]C[5]C)(CH3){3|H<1>,4|C<3>}	H(CC[5,5]HH)	109.4832	0.046	6	109.4832	0.002	6	109.4832	0.002	6	109.9229	0.588	22	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]C)(CH3){1|N<3>,1|O<1>,4|C<3>}	H(CC[5,5]HH)	109.4808	0.020	10	109.4808	0.000	10	109.4808	0.000	10	109.9229	0.588	22	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:3:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|H<1>,5|C<3>}	H(CC[5,5]HH)	109.4770	0.018	3	109.4770	0.000	3	109.4770	0.000	3	109.6258	0.400	155	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:3:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	H(CC[5,5]HH)	109.4175	0.050	6	109.5301	0.436	90	109.6783	0.529	115	109.6258	0.400	155	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:3:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	H(CC[5,5]HH)	109.4773	0.065	3	109.5301	0.436	90	109.6783	0.529	115	109.6258	0.400	155	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:3:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	H(CC[5,5]HH)	109.5404	0.695	81	109.5301	0.436	90	109.6783	0.529	115	109.6258	0.400	155	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:3:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]2C[3x5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(CH3){2|C<4>,2|H<1>,6|C<3>}	H(CC[5,5]HH)	110.2116	0.720	25	110.2116	0.518	25	109.6783	0.529	115	109.6258	0.400	155	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:3:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]2C[5,5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]2C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]2C[5,5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]2C)(CH3){1|C<4>,3|H<1>,4|C<3>}	H(CC[5,5]HH)	109.4748	0.020	6	109.4748	0.000	6	109.4821	0.001	14	109.6258	0.400	155	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:3:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]2C[5,5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]2C[5,5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	H(CC[5,5]HH)	109.4537	0.007	3	109.4537	0.000	3	109.4821	0.001	14	109.6258	0.400	155	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:3:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]2C[5,5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]O[5]2C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]2C[5,5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]O[5]2C)(CH3){2|H<1>,4|C<3>}	H(CC[5,5]HH)	109.5078	0.024	5	109.5078	0.001	5	109.4821	0.001	14	109.6258	0.400	155	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:3:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(CH3){1|H<1>,1|O<1>,4|C<3>}	H(CC[5,5]HH)	109.4507	0.030	8	109.4507	0.001	8	109.4705	0.002	23	109.6258	0.400	155	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:3:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3){1|H<1>,1|O<1>,4|C<3>}	H(CC[5,5]HH)	109.4777	0.032	7	109.4777	0.001	7	109.4705	0.002	23	109.6258	0.400	155	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:3:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|H<1>,1|O<1>,4|C<3>}	H(CC[5,5]HH)	109.4792	0.055	6	109.4792	0.003	6	109.4705	0.002	23	109.6258	0.400	155	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:3:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]CH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]CH)(CH3){2|O<1>,3|C<3>,3|H<1>}	H(CC[5,5]HH)	109.4980	0.017	2	109.4980	0.000	2	109.4705	0.002	23	109.6258	0.400	155	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5a]C[5,5]O[5])(H)3	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5a]C[5,5]O[5])(H)3	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	H(CC[5,5]HH)	109.1383	2.465	3	109.1383	6.074	3	109.1383	6.074	3	109.4511	0.251	54	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]O[5])(H)3	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(O[5]B[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]O[5])(H)3	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(O[5]B[5])(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[5,5]HH)	109.4651	0.033	8	109.4651	0.001	8	109.4661	0.001	14	109.4511	0.251	54	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]O[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]N)(O[5]C[5,6a])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]O[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]N)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	H(CC[5,5]HH)	109.4673	0.015	6	109.4673	0.000	6	109.4661	0.001	14	109.4511	0.251	54	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]N[5,5]C[5]O[5])(H)3	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(CH3)	H(CC[5,5]HH)	C(C[5,5]N[5,5]C[5]O[5])(H)3	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(CC[5,5]HH)	109.4545	0.016	2	109.4545	0.000	2	109.4715	0.028	31	109.4511	0.251	54	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]N[5,5]C[5]O[5])(H)3	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]N[5,5]C[5]O[5])(H)3	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(CC[5,5]HH)	109.4704	0.208	20	109.4727	0.030	29	109.4715	0.028	31	109.4511	0.251	54	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]N[5,5]C[5]O[5])(H)3	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]N[5,5]C[5]O[5])(H)3	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|O<1>,3|H<1>}	H(CC[5,5]HH)	109.4617	0.018	3	109.4727	0.030	29	109.4715	0.028	31	109.4511	0.251	54	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]N[5,5]C[5]O[5])(H)3	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]N[5,5]C[5]O[5])(H)3	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,2|O<1>}	H(CC[5,5]HH)	109.4837	0.023	3	109.4727	0.030	29	109.4715	0.028	31	109.4511	0.251	54	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]N[5,5]C[5]O[5])(H)3	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]N[5,5]C[5]O[5])(H)3	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<4>,1|H<1>,2|O<1>}	H(CC[5,5]HH)	109.4877	0.036	3	109.4727	0.030	29	109.4715	0.028	31	109.4511	0.251	54	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:Se[5]-2:C-4:	C-4:	C(C[5,5]N[5,5]Se[5]C[5])(H)3	C[5,5](N[5,5]N[5]P[5])(C[5]C[5]HH)(Se[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]N[5,5]Se[5]C[5])(H)3	C[5,5](N[5,5]N[5]P[5])(C[5]C[5]HH)(Se[5]C[5])(CH3){1|Se<1>,1|H<1>,3|C<3>}	H(CC[5,5]HH)	109.4672	0.021	6	109.4672	0.000	6	109.4672	0.000	6	109.4511	0.251	54	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-3:Si[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]Si[5]C[5])(H)3	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]Si[5]C[5])(H)3	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3){1|Cl<1>,3|C<4>}	H(CC[5,5]HH)	111.5000	1.271	6	111.5000	1.617	6	111.5000	1.617	6	110.0764	1.670	45	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[3x5]-4:N[5]-3:C-4:	C-4:	C(C[5,5]C[5,6a]C[3x5]N[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2O)(N[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[3x5]N[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2O)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CC[5,5]HH)	109.4740	0.000	1	109.4740	0.000	1	109.4740	0.000	1	110.0764	1.670	45	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[5]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,2|H<1>}	H(CC[5,5]HH)	109.4747	0.008	3	109.4747	0.000	3	109.4683	0.001	7	110.0764	1.670	45	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CC[5,5]HH)	109.4635	0.033	4	109.4635	0.001	4	109.4683	0.001	7	110.0764	1.670	45	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]N[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]N[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	H(CC[5,5]HH)	110.3984	1.178	18	110.3984	1.388	18	110.3984	1.388	18	110.0764	1.670	45	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5,5]-4:N[5]-3:C-4:	C-4:	C(C[5,5]C[5,6a]N[5,5]N[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]N[5]H)(N[5]C[6a]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]N[5,5]N[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]N[5]H)(N[5]C[6a]C[5])(CH3){1|C<4>,1|H<1>,1|S<1>,2|O<2>,4|C<3>}	H(CC[5,5]HH)	109.4873	0.019	3	109.4873	0.000	3	109.4873	0.000	3	110.0764	1.670	45	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5]-3:C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CH3){1|C<4>,5|C<3>}	H(CC[5,5]HH)	109.4584	0.030	5	109.4584	0.001	5	109.4584	0.001	5	110.0764	1.670	45	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]N[5,5]C[5]2)(H)3	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]N[5]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]N[5,5]C[5]2)(H)3	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5,5]HH)	108.9537	2.942	3	108.9537	8.653	3	108.9537	8.653	3	110.0764	1.670	45	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	N[5]-3:C[5,5]-4:N[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]N[5]2)(H)3	C[5,5](N[5]C[6a]C[5])(C[5,5]N[5]2H)(N[5]C[5]H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]N[5]2)(H)3	C[5,5](N[5]C[6a]C[5])(C[5,5]N[5]2H)(N[5]C[5]H)(CH3){1|H<1>,2|S<1>,3|C<3>}	H(CC[5,5]HH)	109.4510	0.004	2	109.4510	0.000	2	109.4510	0.000	2	110.0764	1.670	45	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]B[5]N[5])(C[5]B[5]HH)(C[5]C[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]B[5]N[5])(C[5]B[5]HH)(C[5]C[5]HH)(CH3){2|C<3>,3|C<4>}	H(CC[5,5]HH)	109.4730	0.024	2	109.4730	0.001	2	109.4908	0.001	5	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(CH3){2|H<1>,3|C<3>}	H(CC[5,5]HH)	109.5027	0.028	3	109.5027	0.001	3	109.4908	0.001	5	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5,5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]2)(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]N[5]2H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]2)(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5]N[5]2H)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	H(CC[5,5]HH)	109.4660	0.010	2	109.4660	0.000	2	109.4660	0.000	2	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]O)(C[5]C[5,6]C[5a]H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5]O)(C[5]C[5,6]C[5a]H)(CH3){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	H(CC[5,5]HH)	109.4455	0.028	2	109.4455	0.001	2	109.6184	0.244	42	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HO)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(CC[5,5]HH)	109.4657	0.026	3	109.4657	0.001	3	109.6184	0.244	42	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]N[5]H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(C[5]C[6a]N[5]H)(CH3){1|S<4>,2|H<1>,6|C<3>}	H(CC[5,5]HH)	109.4613	0.028	3	109.4613	0.001	3	109.6184	0.244	42	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CC)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(CC[5,5]HH)	109.4923	0.031	3	109.4923	0.001	3	109.6184	0.244	42	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HH)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CC[5,5]HH)	109.9135	0.733	6	109.9135	0.537	6	109.6184	0.244	42	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(CH3){1|C<4>,2|H<1>,5|C<3>}	H(CC[5,5]HH)	109.4587	0.060	3	109.4611	0.002	7	109.6184	0.244	42	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(CH3){1|C<4>,3|H<1>,6|C<3>}	H(CC[5,5]HH)	109.4630	0.034	4	109.4611	0.002	7	109.6184	0.244	42	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]N[5]H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]N[5]H)(CH3){1|C<4>,1|H<1>,1|S<4>,6|C<3>}	H(CC[5,5]HH)	109.4947	0.023	3	109.4947	0.001	3	109.6184	0.244	42	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]O[5]H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[6a]O[5]H)(CH3){1|C<4>,1|H<1>,6|C<3>}	H(CC[5,5]HH)	109.4770	0.024	3	109.4770	0.001	3	109.6184	0.244	42	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(CC[5,5]HH)	109.4650	0.062	3	109.7666	0.543	12	109.6184	0.244	42	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,4|C<3>}	H(CC[5,5]HH)	110.6440	1.195	3	109.7666	0.543	12	109.6184	0.244	42	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(CC[5,5]HH)	109.4787	0.071	6	109.7666	0.543	12	109.6184	0.244	42	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5,5]N[5]2H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5,5]N[5]2H)(CH3){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(CC[5,5]HH)	109.4692	0.016	5	109.4692	0.000	5	109.8661	0.835	27	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,5]N[5]2H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,5]N[5]2H)(CH3){2|C<4>,3|H<1>,4|C<3>}	H(CC[5,5]HH)	109.5265	0.052	2	109.5265	0.003	2	109.8661	0.835	27	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(CH3){1|O<1>,3|H<1>,5|C<3>}	H(CC[5,5]HH)	109.9210	1.628	3	109.9210	2.652	3	109.8661	0.835	27	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|Br<1>,1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(CC[5,5]HH)	109.4773	0.037	3	110.0132	0.938	17	109.8661	0.835	27	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(CC[5,5]HH)	109.9168	1.017	9	110.0132	0.938	17	109.8661	0.835	27	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	H(CC[5,5]HH)	109.4900	0.006	2	110.0132	0.938	17	109.8661	0.835	27	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CH3){1|S<4>,4|C<3>,4|H<1>}	H(CC[5,5]HH)	111.1870	0.745	3	110.0132	0.938	17	109.8661	0.835	27	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]N[5,5]C[5]2)(H)3	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(C[5]C[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]N[5,5]C[5]2)(H)3	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(CC[5,5]HH)	109.4543	0.022	3	109.4543	0.000	3	109.4574	0.000	9	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]N[5,5]C[5]2)(H)3	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]N[5,5]C[5]2)(H)3	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,3|C<3>}	H(CC[5,5]HH)	109.4553	0.019	3	109.4553	0.000	3	109.4574	0.000	9	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	3:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]N[5,5]C[5]2)(H)3	C[5,5](N[5,5]C[5]2)(C[5]N[5]HH)2(CH3)	H(CC[5,5]HH)	C(C[5,5]N[5,5]C[5]2)(H)3	C[5,5](N[5,5]C[5]2)(C[5]N[5]HH)2(CH3){1|Cu<5>,2|C<3>,2|C<4>,2|H<1>}	H(CC[5,5]HH)	109.4627	0.026	3	109.4627	0.001	3	109.4574	0.000	9	109.6690	0.399	85	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:2:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5,6,6]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5,5]C[3x5,6,6]O[5]2)(H)3	C[5,5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5])(O[5]C[5,6,6])(O[5]C[5,5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[3x5,6,6]O[5]2)(H)3	C[5,5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5])(O[5]C[5,6,6])(O[5]C[5,5])(CH3){1|O<1>,2|O<2>,3|C<3>,4|C<4>}	H(CC[5,5]HH)	109.4545	0.012	2	109.4545	0.000	2	109.4545	0.000	2	109.4763	0.002	23	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:2:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5,6]O[5]2)(H)3	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(O[5]C[5,5,6])(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]O[5]2)(H)3	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(O[5]C[5,5,6])(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[5,5]HH)	109.4545	0.035	6	109.4545	0.001	6	109.4545	0.001	6	109.4763	0.002	23	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:2:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(H)3	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5])2(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]O[5]2)(H)3	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5])2(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(CC[5,5]HH)	109.4990	0.081	3	109.4990	0.007	3	109.4880	0.002	15	109.4763	0.002	23	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:2:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(H)3	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]O[5]2)(H)3	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(CC[5,5]HH)	109.4690	0.054	2	109.4690	0.003	2	109.4880	0.002	15	109.4763	0.002	23	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:2:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(H)3	C[5,5](C[5,5]C[5,6a]2C)(O[5]C[5,6a])2(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]O[5]2)(H)3	C[5,5](C[5,5]C[5,6a]2C)(O[5]C[5,6a])2(CH3){4|C<3>}	H(CC[5,5]HH)	109.5015	0.033	4	109.5015	0.001	4	109.4880	0.002	15	109.4763	0.002	23	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:2:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(H)3	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]O[5]2)(H)3	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(O[5]C[5])(CH3){2|C<3>,2|C<4>}	H(CC[5,5]HH)	109.4763	0.047	3	109.4763	0.002	3	109.4880	0.002	15	109.4763	0.002	23	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:2:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(H)3	C[5,5](C[5,5]C[5]N[5]C)(O[5]C[5])2(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]O[5]2)(H)3	C[5,5](C[5,5]C[5]N[5]C)(O[5]C[5])2(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[5,5]HH)	109.4833	0.016	3	109.4833	0.000	3	109.4880	0.002	15	109.4763	0.002	23	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:2:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5]-2:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5,6]C[5]O[5])(H)3	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]C[5]O[5])(H)3	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|W<6>,3|C<4>}	H(CC[5,5]HH)	109.4630	0.030	3	109.4678	0.001	10	109.4678	0.001	10	109.6639	1.042	13	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:2:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5]-2:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5,6]C[5]O[5])(H)3	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]C[5]O[5])(H)3	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3){1|Cr<6>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(CC[5,5]HH)	109.4620	0.057	2	109.4678	0.001	10	109.4678	0.001	10	109.6639	1.042	13	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:2:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5]-2:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5,6]C[5]O[5])(H)3	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]C[5]O[5])(H)3	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3){1|Mo<6>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(CC[5,5]HH)	109.4730	0.024	5	109.4678	0.001	10	109.4678	0.001	10	109.6639	1.042	13	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:2:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:N[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]N[5]O[5])(H)3	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(N[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]N[5]O[5])(H)3	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(CC[5,5]HH)	110.3177	2.327	3	110.3177	5.416	3	110.3177	5.416	3	109.6639	1.042	13	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:2:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]CH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CC[5,5]HH)	109.4340	0.022	5	109.4340	0.000	5	109.0070	0.522	8	109.0070	0.522	8	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:2:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(CC[5,5]HH)	108.2953	0.782	3	108.2953	0.611	3	109.0070	0.522	8	109.0070	0.522	8	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3,5,5]-4:N[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[3,5,5]N[5]O[5])(H)3	C[5,5](C[3,5,5]C[3,5]2C[6a])(N[5]C[5]S)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[3,5,5]N[5]O[5])(H)3	C[5,5](C[3,5,5]C[3,5]2C[6a])(N[5]C[5]S)(O[5]C[5])(CH3){2|C<3>,6|H<1>}	H(CC[5,5]HH)	109.8513	1.623	3	109.8513	2.635	3	109.8513	2.635	3	109.4643	0.804	39	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:N[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(N[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(N[5]C[5])(CH3){1|H<1>,2|C<4>}	H(CC[5,5]HH)	109.4780	0.029	3	109.4780	0.001	3	109.4780	0.001	3	109.4643	0.804	39	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(O[5]C[5,6a])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(O[5]C[5,6a])(CH3){1|H<1>,1|O<1>,6|C<3>}	H(CC[5,5]HH)	109.4683	0.016	3	109.4683	0.000	3	109.2048	0.708	13	109.4643	0.804	39	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[5,5]HH)	108.3020	1.629	3	108.3020	2.655	3	109.2048	0.708	13	109.4643	0.804	39	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|F<1>,1|W<6>,2|C<4>,2|H<1>}	H(CC[5,5]HH)	109.4670	0.000	1	109.4787	0.001	7	109.2048	0.708	13	109.4643	0.804	39	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|Cl<1>,1|Cr<6>,1|C<3>,2|C<4>,2|H<1>}	H(CC[5,5]HH)	109.4717	0.022	3	109.4787	0.001	7	109.2048	0.708	13	109.4643	0.804	39	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|Cl<1>,1|Mo<6>,1|C<3>,2|C<4>,2|H<1>}	H(CC[5,5]HH)	109.4897	0.027	3	109.4787	0.001	7	109.2048	0.708	13	109.4643	0.804	39	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]N[5]O[5])(H)3	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]N[5]O[5])(H)3	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6])(CH3){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(CC[5,5]HH)	109.6793	1.893	3	109.6793	3.585	3	109.5773	0.846	19	109.4643	0.804	39	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]N[5]O[5])(H)3	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[6a]C[5])(O[5]C[5,6])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]N[5]O[5])(H)3	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[6a]C[5])(O[5]C[5,6])(CH3){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(CC[5,5]HH)	109.7250	1.244	6	109.7250	1.549	6	109.5773	0.846	19	109.4643	0.804	39	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]N[5]O[5])(H)3	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]N[5]O[5])(H)3	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|H<1>}	H(CC[5,5]HH)	109.4510	0.020	7	109.4510	0.000	7	109.5773	0.846	19	109.4643	0.804	39	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]N[5]O[5])(H)3	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]N[5]O[5])(H)3	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	H(CC[5,5]HH)	109.4747	0.051	3	109.4747	0.003	3	109.5773	0.846	19	109.4643	0.804	39	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	N[3x5]-4:C[5,6a]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,6a]N[3x5]O[5])(H)3	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]N[3x5]O[5])(H)3	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(CC[5,5]HH)	109.4900	0.000	1	109.4900	0.000	1	109.4900	0.000	1	109.4643	0.804	39	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]2C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]2C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|S<1>,3|C<3>,3|C<4>}	H(CC[5,5]HH)	109.4850	0.022	4	109.4727	0.001	23	109.4727	0.001	23	109.4699	0.003	282	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]2C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]2C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|Se<1>,3|C<3>,3|C<4>}	H(CC[5,5]HH)	109.4434	0.024	5	109.4727	0.001	23	109.4727	0.001	23	109.4699	0.003	282	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]2C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]2C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|Ta<10>,3|C<3>,3|C<4>}	H(CC[5,5]HH)	109.4725	0.037	8	109.4727	0.001	23	109.4727	0.001	23	109.4699	0.003	282	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]2C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]2C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){3|C<3>,3|C<4>}	H(CC[5,5]HH)	109.4890	0.044	6	109.4727	0.001	23	109.4727	0.001	23	109.4699	0.003	282	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]C[5,5a]O)(C[5]C[5]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]C[5,5a]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,4|H<1>}	H(CC[5,5]HH)	109.4690	0.024	2	109.4690	0.001	2	109.4664	0.000	8	109.4699	0.003	282	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]O)(C[5]O[5]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]O)(C[5]O[5]O)(CH3){1|N<2>,2|C<3>,3|H<1>}	H(CC[5,5]HH)	109.4580	0.011	3	109.4580	0.000	3	109.4664	0.000	8	109.4699	0.003	282	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,1|W<6>,4|C<3>}	H(CC[5,5]HH)	109.4730	0.033	3	109.4730	0.001	3	109.4664	0.000	8	109.4699	0.003	282	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(N[5]C[5]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(N[5]C[5]O)(CH3){1|C<4>,6|H<1>}	H(CC[5,5]HH)	109.5000	0.029	3	109.5000	0.001	3	109.5000	0.001	3	109.4699	0.003	282	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(N[5]C[5,5]C)(C[5]O[5]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(N[5]C[5,5]C)(C[5]O[5]O)(CH3){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	H(CC[5,5]HH)	109.4973	0.028	3	109.4973	0.001	3	109.4766	0.001	8	109.4699	0.003	282	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(C[5]C[5]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	H(CC[5,5]HH)	109.4642	0.024	5	109.4642	0.001	5	109.4766	0.001	8	109.4699	0.003	282	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]N[5]2)(H)3	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(N[5]C[5,6a]H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]N[5]2)(H)3	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(N[5]C[5,6a]H)(CH3){4|C<3>}	H(CC[5,5]HH)	109.4660	0.027	8	109.4660	0.001	8	109.4693	0.003	237	109.4699	0.003	282	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]N[5]2)(H)3	C[5,5](C[5,5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(N[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]N[5]2)(H)3	C[5,5](C[5,5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(N[5]C[5]C)(CH3){2|C<3>,4|H<1>}	H(CC[5,5]HH)	109.4730	0.052	3	109.4730	0.003	3	109.4693	0.003	237	109.4699	0.003	282	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]N[5]2)(H)3	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]N[5]2)(H)3	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3){1|C<3>,1|C<4>,2|O<1>}	H(CC[5,5]HH)	109.4758	0.035	5	109.4694	0.003	226	109.4693	0.003	237	109.4699	0.003	282	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]N[5]2)(H)3	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]N[5]2)(H)3	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3){1|O<1>,1|O<2>,2|C<4>}	H(CC[5,5]HH)	109.4579	0.069	40	109.4694	0.003	226	109.4693	0.003	237	109.4699	0.003	282	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]N[5]2)(H)3	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]N[5]2)(H)3	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3){2|C<3>,2|S<1>}	H(CC[5,5]HH)	109.4335	0.018	2	109.4694	0.003	226	109.4693	0.003	237	109.4699	0.003	282	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]N[5]2)(H)3	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]N[5]2)(H)3	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3){2|C<4>,2|O<1>}	H(CC[5,5]HH)	109.4719	0.051	176	109.4694	0.003	226	109.4693	0.003	237	109.4699	0.003	282	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]N[5]2)(H)3	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]N[5]2)(H)3	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3){2|C<4>,2|S<1>}	H(CC[5,5]HH)	109.4873	0.046	3	109.4694	0.003	226	109.4693	0.003	237	109.4699	0.003	282	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5]-4:B[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5,5]B[5,5]C[5]2)(H)3	C[5,5](C[5]C[6a]2C[5])(B[5,5]C[5]O[5])(C[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]B[5,5]C[5]2)(H)3	C[5,5](C[5]C[6a]2C[5])(B[5,5]C[5]O[5])(C[5]C[5]C)(CH3){2|C<4>,2|H<1>,5|C<3>}	H(CC[5,5]HH)	109.4563	0.041	3	109.4563	0.002	3	109.4563	0.002	3	109.4699	0.003	282	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:4:4:	4:	C[5,5]-4:Cl-1:H-1:H-1:	C[5,5]-4:N[5]-3:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]N[5])(Cl)(H)2	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH)(CClHH)	H(CC[5,5]ClH)	C(C[5,5]C[5,5]C[5]N[5])(Cl)(H)2	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH)(CClHH){2|H<1>,5|C<3>}	H(CC[5,5]ClH)	108.5755	0.018	2	108.5755	0.000	2	108.5755	0.000	2	110.6397	14.736	21	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-3:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2)(CH3)2{1|C<4>,1|O<2>,6|H<1>}	H(CC[5,5]HH)	113.8778	6.407	6	113.8778	41.054	6	113.8778	41.054	6	110.6397	14.736	21	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,5]-4:C-4:	C-4:	C(C[5,5]C[5,5]2C[5,6])(H)3	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]2C[5,6])(H)3	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(CH3){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	H(CC[5,5]HH)	109.4722	0.039	6	109.4722	0.002	6	109.4722	0.002	6	110.6397	14.736	21	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(CC[5,5]HH)	109.4730	0.000	1	109.4730	0.000	1	109.4730	0.000	1	110.6397	14.736	21	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){2|C<4>,2|H<1>,3|C<3>}	H(CC[5,5]HH)	109.4563	0.037	3	109.4563	0.001	3	109.4563	0.001	3	110.6397	14.736	21	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:3:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(C[5]N[5]CC)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(C[5]N[5]CC)(CH3){1|H<1>,1|S<4>,3|C<3>}	H(CC[5,5]HH)	109.4470	0.019	3	109.4470	0.000	3	109.4470	0.000	3	110.6397	14.736	21	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5]-4:C[5,5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[3x5]C[5,5]O[5])(H)3	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(C[5,5]C[5,5]C[5]H)(O[5]N[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[3x5]C[5,5]O[5])(H)3	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(C[5,5]C[5,5]C[5]H)(O[5]N[5])(CH3){1|O<2>,5|C<4>,5|H<1>}	H(CC[5,5]HH)	109.4748	0.051	4	109.4748	0.003	4	109.4748	0.003	4	109.5954	2.356	59	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[3x5]C[5]O[5])(H)3	C[5,5](C[3x5]C[5,5,6]C[5,5]O[5])(C[5]C[5]HH)(O[5]C[5,6])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[3x5]C[5]O[5])(H)3	C[5,5](C[3x5]C[5,5,6]C[5,5]O[5])(C[5]C[5]HH)(O[5]C[5,6])(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5,5]HH)	109.4553	0.035	3	109.4553	0.001	3	109.4553	0.001	3	109.5954	2.356	59	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5,6,6]C[5]O[5])(H)3	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FF)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6,6]C[5]O[5])(H)3	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FF)(O[5]C[5])(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(CC[5,5]HH)	109.4603	0.032	3	109.4603	0.001	3	109.4603	0.001	3	109.5954	2.356	59	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]O[5])(H)3	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]C)(O[5]C[5,5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5,6]O[5])(H)3	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]C)(O[5]C[5,5])(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(CC[5,5]HH)	109.4653	0.031	6	109.4653	0.001	6	109.4724	0.001	9	109.5954	2.356	59	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]O[5])(H)3	C[5,5](C[5,5]C[5,6]C[5]Br)(C[5,6]C[5,6]C[6]C)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5,6]O[5])(H)3	C[5,5](C[5,5]C[5,6]C[5]Br)(C[5,6]C[5,6]C[6]C)(O[5]C[5])(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(CC[5,5]HH)	109.4867	0.021	3	109.4867	0.000	3	109.4724	0.001	9	109.5954	2.356	59	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]Cl2)(N[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]Cl2)(N[5]C[5])(CH3){2|Cl<1>,2|C<3>}	H(CC[5,5]HH)	110.6697	1.343	6	110.6697	1.804	6	110.2880	1.455	9	109.5954	2.356	59	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(CC[5,5]HH)	109.5247	0.020	3	109.5247	0.000	3	110.2880	1.455	9	109.5954	2.356	59	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(CH3){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(CC[5,5]HH)	110.8210	3.169	3	110.3005	4.401	6	109.5781	4.522	27	109.5954	2.356	59	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(CH3){1|C<4>,2|O<2>,3|H<1>}	H(CC[5,5]HH)	109.7800	0.386	3	110.3005	4.401	6	109.5781	4.522	27	109.5954	2.356	59	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(O[5]C[5])(CH3){1|H<1>,1|O<2>,2|C<4>}	H(CC[5,5]HH)	109.1057	1.167	3	109.1057	1.363	3	109.5781	4.522	27	109.5954	2.356	59	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CH3){2|C<4>,2|H<1>,2|N<3>}	H(CC[5,5]HH)	109.5115	0.016	2	109.5115	0.000	2	109.5781	4.522	27	109.5954	2.356	59	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|C<3>,4|H<1>}	H(CC[5,5]HH)	109.4590	0.022	5	109.4590	0.000	5	109.5781	4.522	27	109.5954	2.356	59	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(CH3){1|O<1>,1|O<2>,4|C<4>}	H(CC[5,5]HH)	109.2297	1.372	3	109.2297	1.882	3	109.5781	4.522	27	109.5954	2.356	59	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|O<1>,1|S<4>,3|C<3>}	H(CC[5,5]HH)	109.4850	0.010	2	109.4850	0.000	2	109.5781	4.522	27	109.5954	2.356	59	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(CH3){1|H<1>,3|C<4>}	H(CC[5,5]HH)	109.3890	6.506	3	109.3890	42.326	3	109.5781	4.522	27	109.5954	2.356	59	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[5]HH)(O[5]N[5])(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[5]HH)(O[5]N[5])(CH3){1|O<1>,2|C<3>,2|H<1>}	H(CC[5,5]HH)	109.4483	0.018	3	109.4483	0.000	3	109.5781	4.522	27	109.5954	2.356	59	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:2:4:	4:	C[5,5]-4:H-1:H-1:I-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(H)2(I)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(CHHI)	H(CC[5,5]HI)	C(C[5,5]C[5,5]C[5]O[5])(H)2(I)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(CHHI){1|O<1>,1|O<2>,5|H<1>}	H(CC[5,5]HI)	108.7580	0.018	4	108.7580	0.000	4	108.7580	0.000	4	109.5954	2.356	59	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3,5,5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[3,5,5]C[5]2)(H)3	C[5,5](C[3,5,5]C[3,5]P[3,5]C)(C[5]C[5a]N[5]H)(C[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[3,5,5]C[5]2)(H)3	C[5,5](C[3,5,5]C[3,5]P[3,5]C)(C[5]C[5a]N[5]H)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,1|W<6>,3|C<4>}	H(CC[5,5]HH)	109.5040	0.025	3	109.5040	0.001	3	109.5040	0.001	3	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3,5,5]-4:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5,5]C[3,5,5]C[5]N[5])(H)3	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]HH)(N[5]N[5]H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[3,5,5]C[5]N[5])(H)3	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]HH)(N[5]N[5]H)(CH3){1|Si<4>,1|C<3>,6|H<1>}	H(CC[5,5]HH)	109.4800	0.006	2	109.4800	0.000	2	109.4800	0.000	2	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3,5,5]-4:P[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[3,5,5]C[5]P[5])(H)3	C[5,5](C[3,5,5]C[3,5]2C)(P[5]C[5]OW)(C[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[3,5,5]C[5]P[5])(H)3	C[5,5](C[3,5,5]C[3,5]2C)(P[5]C[5]OW)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[5,5]HH)	109.8302	1.137	6	109.8302	1.294	6	109.8302	1.294	6	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[3x5]C[5]2)(H)3	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[3x5]C[5]2)(H)3	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|Si<4>,3|C<4>,7|H<1>}	H(CC[5,5]HH)	108.9317	3.337	3	108.9317	11.137	3	108.9317	11.137	3	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]O)(CH3){8|H<1>}	H(CC[5,5]HH)	109.4685	0.022	2	109.4685	0.000	2	109.4685	0.000	2	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5,6]C[5,6]C[5])(H)3	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[6]O)(C[5]O[5]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]C[5,6]C[5])(H)3	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[6]O)(C[5]O[5]O)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5,5]HH)	109.4587	0.018	3	109.4587	0.000	3	109.4587	0.000	3	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5,6]C[5]2)(H)3	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]C[5]H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]C[5]2)(H)3	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]C[5]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CC[5,5]HH)	109.4443	0.022	3	109.4443	0.001	3	109.4443	0.001	3	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]2C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]2C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]C)(CH3){2|C<4>,9|H<1>}	H(CC[5,5]HH)	109.4895	0.042	2	109.4895	0.002	2	109.4895	0.002	2	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|O<2>}	H(CC[5,5]HH)	109.4573	0.019	10	109.4573	0.000	10	109.5774	0.818	45	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2H)(C[5]C[5]2H)(C[5]N[5]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2H)(C[5]C[5]2H)(C[5]N[5]O)(CH3){1|C<3>,2|C<4>,7|H<1>}	H(CC[5,5]HH)	109.4743	0.041	3	109.4743	0.002	3	109.5774	0.818	45	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,5|H<1>}	H(CC[5,5]HH)	109.4565	0.005	2	109.4565	0.000	2	109.5774	0.818	45	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<4>,6|H<1>}	H(CC[5,5]HH)	109.4890	0.014	3	109.4890	0.000	3	109.5774	0.818	45	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|O<2>,3|C<4>,4|H<1>}	H(CC[5,5]HH)	109.4587	0.049	3	109.4587	0.002	3	109.5774	0.818	45	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(C[5]O[5]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(C[5]O[5]O)(CH3){2|C<4>,2|H<1>}	H(CC[5,5]HH)	109.4906	0.034	5	109.4906	0.001	5	109.5774	0.818	45	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]O)(CH3){2|C<3>,4|H<1>}	H(CC[5,5]HH)	109.4724	0.031	5	109.4724	0.001	5	109.5774	0.818	45	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2O)(C[5]O[5]HH)(C[5]C[5]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2O)(C[5]O[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	H(CC[5,5]HH)	109.4610	0.042	3	109.4610	0.002	3	109.5774	0.818	45	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]O[5]C)(C[5]N[5]HH)(C[5]C[5]H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]O[5]C)(C[5]N[5]HH)(C[5]C[5]H)(CH3){1|C<3>,1|S<4>,2|H<1>}	H(CC[5,5]HH)	109.5000	0.035	2	109.5000	0.001	2	109.5774	0.818	45	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5,6]HH)(C[5]C[5]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5,6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(CC[5,5]HH)	109.4817	0.013	3	109.4817	0.000	3	109.5774	0.818	45	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	H(CC[5,5]HH)	111.0830	3.785	3	111.0830	14.330	3	109.5774	0.818	45	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]N[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]N[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]O)(CH3){2|C<3>,4|H<1>}	H(CC[5,5]HH)	109.4457	0.016	3	109.4457	0.000	3	109.5774	0.818	45	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(CH3){1|H<1>,5|C<3>}	H(CC[5,5]HH)	109.4508	0.041	6	109.4508	0.002	6	109.4508	0.002	6	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:P[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]P[5])(H)3	C[5,5](C[5,5]C[5]2C)(P[5]C[5]WW)(C[5]C[5]C)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]P[5])(H)3	C[5,5](C[5,5]C[5]2C)(P[5]C[5]WW)(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	H(CC[5,5]HH)	109.4723	0.035	3	109.4723	0.001	3	109.4723	0.001	3	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]C[5])(H)3	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O)(C[5]C[5]O)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5,6]C[5])(H)3	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O)(C[5]C[5]O)(CH3){2|C<4>,9|H<1>}	H(CC[5,5]HH)	109.4353	0.022	3	109.4353	0.000	3	109.4353	0.000	3	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:3:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(CH3){1|O<1>,3|H<1>,4|C<3>}	H(CC[5,5]HH)	109.4665	0.045	2	109.4665	0.002	2	109.4665	0.002	2	109.5327	0.812	83	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:1:	4:	C[5,5]-4:H-1:H-1:H-1:	B[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,5]B[5,5,6]P[5,5,6]H)(H)3	C[5,5](B[5,5,6]C[5,6]2C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H)	H(CC[5,5]HH)	C(C[5,5]B[5,5,6]P[5,5,6]H)(H)3	C[5,5](B[5,5,6]C[5,6]2C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H){2|H<1>,6|C<3>}	H(CC[5,5]HH)	109.4595	0.030	6	109.4595	0.001	6	109.4763	0.001	13	109.6069	0.488	34	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:1:	4:	C[5,5]-4:H-1:H-1:H-1:	B[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,5]B[5,5,6]P[5,5,6]H)(H)3	C[5,5](B[5,5,6]C[5,6]O[5,6]C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H)	H(CC[5,5]HH)	C(C[5,5]B[5,5,6]P[5,5,6]H)(H)3	C[5,5](B[5,5,6]C[5,6]O[5,6]C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H){5|C<3>,5|H<1>}	H(CC[5,5]HH)	109.4907	0.013	7	109.4907	0.000	7	109.4763	0.001	13	109.6069	0.488	34	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:1:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,5]C[3x5,6]C[5,5,6]H)(H)3	C[5,5](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,6a])(C[5,5,6]C[5,6,6a]C[5,6]C)(CH3)(H)	H(CC[5,5]HH)	C(C[5,5]C[3x5,6]C[5,5,6]H)(H)3	C[5,5](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,6a])(C[5,5,6]C[5,6,6a]C[5,6]C)(CH3)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(CC[5,5]HH)	109.4940	0.030	3	109.4940	0.001	3	109.4940	0.001	3	109.6069	0.488	34	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:1:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,5]C[5,5,6]2H)(H)3	C[5,5](C[5,5,6]As[5,6]C[5,6]C)(C[5,5,6]C[5,6]P[5,6]C)(CH3)(H)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2H)(H)3	C[5,5](C[5,5,6]As[5,6]C[5,6]C)(C[5,5,6]C[5,6]P[5,6]C)(CH3)(H){1|H<1>,1|P<4>,1|W<6>,2|C<4>}	H(CC[5,5]HH)	109.4593	0.033	3	109.4593	0.001	3	109.7200	0.917	18	109.6069	0.488	34	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:1:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,5]C[5,5,6]2H)(H)3	C[5,5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,5,6]C[3x5,6]O[5,6]O)(CH3)(H)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2H)(H)3	C[5,5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,5,6]C[3x5,6]O[5,6]O)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5,5]HH)	110.9680	2.233	3	110.9680	4.985	3	109.7200	0.917	18	109.6069	0.488	34	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:1:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,5]C[5,5,6]2H)(H)3	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2H)(H)3	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H){1|C<3>,1|O<1>,2|H<1>}	H(CC[5,5]HH)	109.4593	0.029	3	109.4574	0.000	5	109.7200	0.917	18	109.6069	0.488	34	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:1:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,5]C[5,5,6]2H)(H)3	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2H)(H)3	C[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,5,6]C[5,6]O[5,6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	H(CC[5,5]HH)	109.4545	0.012	2	109.4574	0.000	5	109.7200	0.917	18	109.6069	0.488	34	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:1:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,5]C[5,5,6]2H)(H)3	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(CH3)(H)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2H)(H)3	C[5,5](C[5,5,6]C[5,6]P[5,6]H)(C[5,5,6]C[5,6]2H)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(CC[5,5]HH)	109.4844	0.024	7	109.4844	0.001	7	109.7200	0.917	18	109.6069	0.488	34	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:3:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-3:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CH3)(CHH)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CH3)(CHH){1|O<1>,2|O<2>,4|H<1>}	H(CC[5,5]HH)	109.4495	0.015	2	109.4495	0.000	2	111.9146	54.402	5	111.9146	54.402	5	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:3:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-3:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(CH3)(CHH)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(CH3)(CHH){1|O<1>,4|H<1>}	H(CC[5,5]HH)	113.5580	9.934	3	113.5580	98.675	3	111.9146	54.402	5	111.9146	54.402	5	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:Br-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(Br)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CBrHH)(CH3)	H(CC[5,5]BrH)	C(C[5,5]C[5,5,6]2C)(Br)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CBrHH)(CH3){1|C<4>,1|O<2>,6|H<1>}	H(CC[5,5]BrH)	109.0450	0.000	1	109.0450	0.000	1	109.0450	0.000	1	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:Cl-1:Cl-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(Cl)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCl2H)(CClHH)	H(CC[5,5]Cl2)	C(C[5,5]C[5,5,6]2C)(Cl)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCl2H)(CClHH){4|Cl<1>,4|H<1>}	H(CC[5,5]Cl2)	111.8515	1.669	2	110.5950	6.130	3	110.5950	6.130	3	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:Cl-1:Cl-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(Cl)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCl2H)(CClHH)	H(CC[5,5]Cl2)	C(C[5,5]C[5,5,6]2C)(Cl)2(H)	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCl2H)(CClHH){5|Cl<1>,3|H<1>}	H(CC[5,5]Cl2)	108.0820	0.000	1	110.5950	6.130	3	110.5950	6.130	3	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:Cl-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(Cl)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCl2H)(CClHH)	H(CC[5,5]ClH)	C(C[5,5]C[5,5,6]2C)(Cl)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCl2H)(CClHH){4|Cl<1>,4|H<1>}	H(CC[5,5]ClH)	110.1538	2.678	4	109.6238	4.977	6	109.6238	4.977	6	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:Cl-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(Cl)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCl2H)(CClHH)	H(CC[5,5]ClH)	C(C[5,5]C[5,5,6]2C)(Cl)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCl2H)(CClHH){5|Cl<1>,3|H<1>}	H(CC[5,5]ClH)	108.5640	0.042	2	109.6238	4.977	6	109.6238	4.977	6	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3,5,5]-4:C[3x5]-4:C-4:C-4:	C-4:	C(C[5,5]C[3,5,5]C[3x5]C)(H)3	C[5,5](C[3,5,5]C[3,5,5]2C[6a])(C[3x5]C[5,5]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[3,5,5]C[3x5]C)(H)3	C[5,5](C[3,5,5]C[3,5,5]2C[6a])(C[3x5]C[5,5]2H)(CH3)2{1|C<4>,2|C<3>,5|H<1>}	H(CC[5,5]HH)	109.4755	0.010	4	109.4755	0.000	4	109.4755	0.000	4	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|O<1>,1|O<2>,1|S<4>,6|H<1>}	H(CC[5,5]HH)	110.8160	3.073	6	110.4595	11.953	12	109.6650	1.877	460	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|S<4>,2|O<2>,7|H<1>}	H(CC[5,5]HH)	110.1030	4.068	6	110.4595	11.953	12	109.6650	1.877	460	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|O<1>,1|O<2>,1|S<4>,6|H<1>}	H(CC[5,5]HH)	110.6710	2.975	6	110.4729	13.626	12	109.6650	1.877	460	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|S<4>,2|O<2>,7|H<1>}	H(CC[5,5]HH)	110.2748	4.586	6	110.4729	13.626	12	109.6650	1.877	460	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(CH3)2{1|O<2>,2|C<4>,5|H<1>}	H(CC[5,5]HH)	111.1336	2.907	12	111.1336	8.453	12	109.6650	1.877	460	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|Br<1>,1|N<2>,1|S<4>,7|H<1>}	H(CC[5,5]HH)	109.4636	0.032	5	109.4986	0.497	392	109.6650	1.877	460	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|C<3>,1|C<4>,1|N<3>,8|H<1>}	H(CC[5,5]HH)	109.4644	0.032	5	109.4986	0.497	392	109.6650	1.877	460	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|C<4>,1|N<3>,1|S<4>,8|H<1>}	H(CC[5,5]HH)	109.4610	0.046	6	109.4986	0.497	392	109.6650	1.877	460	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|N<2>,1|S<4>,8|H<1>}	H(CC[5,5]HH)	110.9975	4.387	6	109.4986	0.497	392	109.6650	1.877	460	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|S<4>,2|O<2>,7|H<1>}	H(CC[5,5]HH)	109.4877	0.046	9	109.4986	0.497	392	109.6650	1.877	460	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|S<4>,8|H<1>}	H(CC[5,5]HH)	109.4715	0.880	12	109.4986	0.497	392	109.6650	1.877	460	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|S<4>,9|H<1>}	H(CC[5,5]HH)	109.4723	0.191	329	109.4986	0.497	392	109.6650	1.877	460	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|O<1>,2|N<3>,7|H<1>}	H(CC[5,5]HH)	109.7588	3.556	6	109.4986	0.497	392	109.6650	1.877	460	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|O<2>,1|S<3>,9|H<1>}	H(CC[5,5]HH)	109.3878	0.169	6	109.4986	0.497	392	109.6650	1.877	460	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|O<2>,1|S<4>,9|H<1>}	H(CC[5,5]HH)	109.4878	0.015	4	109.4986	0.497	392	109.6650	1.877	460	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2H)(CH3)2{2|Cl<1>,1|N<3>,1|S<4>,7|H<1>}	H(CC[5,5]HH)	109.4507	0.022	4	109.4986	0.497	392	109.6650	1.877	460	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]N[5])(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[3x5,6]C[5,5,6]C)(H)3	C[5,5](C[3x5,6]C[5,5,6]C[5,6]N[5])(C[5,5,6]C[5,6]2H)(CH3)2{1|C<3>,1|N<2>,1|O<2>,7|H<1>}	H(CC[5,5]HH)	110.5516	2.638	32	110.5516	6.958	32	109.6650	1.877	460	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[3x5]C[5]2)(H)3	C[5,5](C[3x5]C[5,5,6]C[5]2)(C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[3x5]C[5]2)(H)3	C[5,5](C[3x5]C[5,5,6]C[5]2)(C[5]C[5,5]HH)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(CC[5,5]HH)	109.4690	0.000	1	109.4690	0.000	1	105.4567	17.050	4	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[3x5]C[5]2)(H)3	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)2(CH3)	H(CC[5,5]HH)	C(C[5,5]C[3x5]C[5]2)(H)3	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)2(CH3){1|O<1>,3|C<4>,6|H<1>}	H(CC[5,5]HH)	104.1193	3.853	3	104.1193	14.843	3	105.4567	17.050	4	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[4,3x5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[4,3x5]C[5]2)(H)3	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(CH3)	H(CC[5,5]HH)	C(C[5,5]C[4,3x5]C[5]2)(H)3	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)2(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(CC[5,5]HH)	109.4450	0.000	1	109.4450	0.000	1	109.4450	0.000	1	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[4,5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[4,5,5]C[5]2)(H)3	C[5,5](C[4,5,5]C[4,5]C[4,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[4,5,5]C[5]2)(H)3	C[5,5](C[4,5,5]C[4,5]C[4,6]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(CC[5,5]HH)	109.4647	0.017	3	109.4647	0.000	3	109.4647	0.000	3	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6,6]C[5,5,6]C)(H)3	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6,6]C[5,5,6]C)(H)3	C[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|O<2>,9|H<1>}	H(CC[5,5]HH)	109.4684	0.025	5	109.4684	0.001	5	109.4749	0.000	9	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6,6]C[5,5,6]C)(H)3	C[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6]2O)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6,6]C[5,5,6]C)(H)3	C[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5,6]C[5,6]2O)(CH3)2{1|O<1>,1|S<2>,3|C<4>,3|H<1>}	H(CC[5,5]HH)	109.4830	0.016	4	109.4830	0.000	4	109.4749	0.000	9	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[4,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[4,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<4>,1|O<2>,6|H<1>}	H(CC[5,5]HH)	109.4640	0.034	5	109.4640	0.001	5	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]C)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6]C[5,6,6]C[5,6]C)(CH3)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(CC[5,5]HH)	109.4762	0.038	9	109.4762	0.001	9	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CH3)2{1|C<3>,1|N<3>,4|H<1>}	H(CC[5,5]HH)	109.4664	0.037	16	109.4734	0.002	55	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CH3)2{1|N<3>,1|O<2>,6|H<1>}	H(CC[5,5]HH)	109.4766	0.046	34	109.4734	0.002	55	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CH3)2{1|Se<2>,1|C<4>,1|O<2>,5|H<1>}	H(CC[5,5]HH)	109.4742	0.042	5	109.4734	0.002	55	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<4>,1|S<4>,6|H<1>}	H(CC[5,5]HH)	109.4892	0.055	6	109.4755	0.002	10	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(CH3)2{2|O<2>,6|H<1>}	H(CC[5,5]HH)	109.4550	0.038	4	109.4755	0.002	10	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(CHHS)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(CHHS)(CH3){2|O<2>,6|H<1>}	H(CC[5,5]HH)	109.4670	0.016	3	109.4670	0.000	3	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CH3)2{1|O<1>,2|O<2>,4|H<1>}	H(CC[5,5]HH)	109.4575	0.027	14	110.9337	10.624	32	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,6]2C)(CH3)2{3|O<2>,5|H<1>}	H(CC[5,5]HH)	112.0819	4.023	18	110.9337	10.624	32	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C)(C[5,5,6]C[5,5a,6]C[5,6]H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,5a,6]C[5,6]C)(C[5,5,6]C[5,5a,6]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,4|H<1>}	H(CC[5,5]HH)	109.4917	0.071	41	109.4917	0.005	41	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2{1|C<4>,1|O<2>,6|H<1>}	H(CC[5,5]HH)	109.4870	0.024	5	109.4709	0.001	167	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2{1|N<2>,1|O<2>,5|H<1>}	H(CC[5,5]HH)	109.4711	0.040	144	109.4709	0.001	167	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2{1|N<3>,1|O<2>,6|H<1>}	H(CC[5,5]HH)	109.4763	0.025	6	109.4709	0.001	167	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2{1|O<2>,1|P<3>,6|H<1>}	H(CC[5,5]HH)	109.4463	0.031	7	109.4709	0.001	167	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6,6]C[5,6]C)(C[5,5,6]C[5,6,6]C[5,6]H)(CH3)2{1|O<2>,1|P<4>,6|H<1>}	H(CC[5,5]HH)	109.4746	0.020	5	109.4709	0.001	167	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,4|H<1>}	H(CC[5,5]HH)	109.4660	0.027	6	109.4713	0.001	26	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)(CH3)2{2|N<2>,4|H<1>}	H(CC[5,5]HH)	109.4729	0.028	20	109.4713	0.001	26	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CBrHH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CBrHH)(CH3){1|C<4>,1|O<2>,6|H<1>}	H(CC[5,5]HH)	109.4523	0.032	3	109.4523	0.001	3	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<2>,1|O<2>,6|H<1>}	H(CC[5,5]HH)	109.4689	0.067	45	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<2>,6|H<1>}	H(CC[5,5]HH)	111.5420	3.297	6	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<3>,1|N<3>,6|H<1>}	H(CC[5,5]HH)	109.4639	0.029	8	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<3>,1|O<1>,4|H<1>}	H(CC[5,5]HH)	109.4849	0.043	14	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<3>,1|O<1>,5|H<1>}	H(CC[5,5]HH)	109.4693	0.025	11	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<3>,1|O<2>,4|H<1>}	H(CC[5,5]HH)	109.4704	0.040	38	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<3>,1|O<2>,6|H<1>}	H(CC[5,5]HH)	109.6477	0.872	74	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<3>,1|P<4>,4|H<1>}	H(CC[5,5]HH)	109.4446	0.028	5	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<3>,2|O<2>,5|H<1>}	H(CC[5,5]HH)	109.4984	0.037	5	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<3>,7|H<1>}	H(CC[5,5]HH)	109.4788	0.023	5	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|C<4>,1|O<2>,6|H<1>}	H(CC[5,5]HH)	109.4735	0.037	23	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<2>,1|O<1>,4|H<1>}	H(CC[5,5]HH)	109.4554	0.020	8	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<2>,1|P<4>,5|H<1>}	H(CC[5,5]HH)	109.4572	0.030	5	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<2>,6|H<1>}	H(CC[5,5]HH)	109.7149	2.467	59	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<2>,7|H<1>}	H(CC[5,5]HH)	109.4876	0.061	9	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|O<1>,4|H<1>}	H(CC[5,5]HH)	109.4710	0.050	12	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|O<2>,6|H<1>}	H(CC[5,5]HH)	109.4296	0.094	13	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,1|P<4>,5|H<1>}	H(CC[5,5]HH)	109.4718	0.033	4	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,6|H<1>}	H(CC[5,5]HH)	109.4825	0.027	15	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<3>,7|H<1>}	H(CC[5,5]HH)	109.4734	0.036	32	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|N<4>,7|H<1>}	H(CC[5,5]HH)	110.6529	2.125	18	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|O<1>,6|H<1>}	H(CC[5,5]HH)	109.4877	0.283	385	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|O<1>,7|H<1>}	H(CC[5,5]HH)	109.4196	0.434	12	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|O<2>,1|P<4>,4|H<1>}	H(CC[5,5]HH)	109.4683	0.068	11	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|O<2>,1|S<3>,6|H<1>}	H(CC[5,5]HH)	109.4610	0.037	14	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|O<2>,7|H<1>}	H(CC[5,5]HH)	109.4633	0.326	93	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|P<4>,5|H<1>}	H(CC[5,5]HH)	109.4770	0.029	6	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|S<2>,7|H<1>}	H(CC[5,5]HH)	109.4568	0.039	5	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|Se<3>,1|O<2>,6|H<1>}	H(CC[5,5]HH)	109.4915	0.051	4	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{1|Sn<4>,7|H<1>}	H(CC[5,5]HH)	110.2801	2.138	17	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{2|Cl<1>,6|H<1>}	H(CC[5,5]HH)	109.4767	0.018	3	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{2|N<3>,4|H<1>}	H(CC[5,5]HH)	109.4857	0.058	6	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CH3)2{2|S<2>,4|H<1>}	H(CC[5,5]HH)	109.5646	0.222	9	109.5538	0.738	974	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHO)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHO)(CH3){1|O<1>,1|O<2>,5|H<1>}	H(CC[5,5]HH)	109.4761	0.033	9	109.4829	0.002	15	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHO)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHO)(CH3){1|O<1>,6|H<1>}	H(CC[5,5]HH)	109.4930	0.048	6	109.4829	0.002	15	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHS)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHS)(CH3){1|Br<1>,1|O<1>,5|H<1>}	H(CC[5,5]HH)	109.4667	0.036	6	109.4667	0.001	6	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)2(CC[6a]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2C)2(CC[6a]HH)(CH3){1|N<3>,2|C<4>,3|H<1>}	H(CC[5,5]HH)	109.4742	0.042	17	109.4742	0.002	17	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2N)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]2N)(CH3)2{1|O<1>,6|H<1>}	H(CC[5,5]HH)	109.4675	0.037	8	109.4675	0.001	8	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]3)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]2H)(C[5,5,6]C[5,6]3)(CH3)2{1|C<4>,1|O<1>,1|S<3>,7|H<1>}	H(CC[5,5]HH)	109.4696	0.024	5	109.4696	0.001	5	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]O[5,6]C)(CHHO)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]O[5,6]C)(CHHO)(CH3){1|C<3>,2|C<4>}	H(CC[5,5]HH)	109.4707	0.031	6	109.4707	0.001	6	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(CH3)2	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(CH3)2{1|O<1>,4|H<1>}	H(CC[5,5]HH)	109.5561	0.946	387	109.5561	0.895	387	109.5623	0.824	1769	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5,6]C[5]2)(H)3	C[5,5](C[5,5,6]C[5,6]2O)(C[5]C[5]HH)2(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5,6]C[5]2)(H)3	C[5,5](C[5,5,6]C[5,6]2O)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	H(CC[5,5]HH)	109.4830	0.030	2	109.4830	0.001	2	109.4830	0.001	2	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]2C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2C)(C[5]C[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]2C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]O[5]2C)(C[5]C[5]HH)(CH3){1|O<1>,2|C<4>,3|H<1>}	H(CC[5,5]HH)	109.4585	0.032	20	109.4585	0.001	20	109.4585	0.001	20	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]C[5])(H)3	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5,6]C[5])(H)3	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,8|H<1>}	H(CC[5,5]HH)	109.4580	0.034	3	109.4580	0.001	3	109.4680	0.001	12	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]C[5])(H)3	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5,6]C[5])(H)3	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CH3){1|O<2>,2|C<3>,8|H<1>}	H(CC[5,5]HH)	109.4620	0.020	3	109.4620	0.000	3	109.4680	0.001	12	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]C[5])(H)3	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5,6]C[5])(H)3	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(CC[5,5]HH)	109.4590	0.015	3	109.4590	0.000	3	109.4680	0.001	12	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]C[5])(H)3	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5,6]C[5])(H)3	C[5,5](C[5,5]C[5,6]C[5]C)(C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3){2|C<3>,2|C<4>,6|H<1>}	H(CC[5,5]HH)	109.4930	0.018	3	109.4930	0.000	3	109.4680	0.001	12	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5]N[5,6]HH)(C[5]C[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5,5,6]O[5]H)(C[5]N[5,6]HH)(C[5]C[5]HH)(CH3){1|O<1>,3|C<4>}	H(CC[5,5]HH)	109.4410	0.027	3	109.4410	0.001	3	109.8537	1.272	42	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]HH)(C[5]C[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]HH)(C[5]C[5]HH)(CH3){1|C<3>,3|H<1>,4|C<4>}	H(CC[5,5]HH)	109.4744	0.016	7	109.4744	0.000	7	109.8537	1.272	42	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,5,6]HH)(C[5]C[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,5,6]HH)(C[5]C[5]HH)(CH3){1|C<3>,3|H<1>,4|C<4>}	H(CC[5,5]HH)	109.7163	2.184	3	109.7163	4.771	3	109.8537	1.272	42	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]CC)(C[5]C[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]CC)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(CC[5,5]HH)	109.4673	0.062	3	109.4673	0.004	3	109.8537	1.272	42	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)2(CH3){1|Pt<4>,1|O<2>,5|H<1>}	H(CC[5,5]HH)	112.0380	1.343	6	112.0380	1.803	6	109.8537	1.272	42	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]HH)(CH3){1|C<4>,1|S<4>,5|H<1>}	H(CC[5,5]HH)	109.5090	0.013	3	109.5090	0.000	3	109.8537	1.272	42	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]HH)2(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]HH)2(CH3){1|H<1>,2|C<4>}	H(CC[5,5]HH)	109.4610	0.008	2	109.4610	0.000	2	109.8537	1.272	42	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)2(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)2(CH3){1|O<1>,1|O<2>,3|H<1>}	H(CC[5,5]HH)	109.4653	0.055	6	109.4653	0.003	6	109.8537	1.272	42	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,3|H<1>}	H(CC[5,5]HH)	109.4520	0.020	3	109.4520	0.000	3	109.8537	1.272	42	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]CH)(C[5]C[5]CW)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]CH)(C[5]C[5]CW)(CH3){1|W<6>,3|C<4>}	H(CC[5,5]HH)	109.4750	0.054	3	109.4750	0.003	3	109.8537	1.272	42	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]HH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CH)(C[5]C[5]HH)(CH3){1|Co<6>,1|C<3>,1|O<1>}	H(CC[5,5]HH)	109.4703	0.055	3	109.4703	0.003	3	109.8537	1.272	42	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:P[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]P[5])(H)3	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(P[5]C[5]FW)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]P[5])(H)3	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(P[5]C[5]FW)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CC[5,5]HH)	109.4803	0.025	3	109.4803	0.001	3	109.4803	0.001	3	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:P[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]P[5])(H)3	C[5,5](C[5,5]C[5]O[5]C)(P[5]C[5]ClCr)(C[5]C[5]CH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]P[5])(H)3	C[5,5](C[5,5]C[5]O[5]C)(P[5]C[5]ClCr)(C[5]C[5]CH)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CC[5,5]HH)	109.4713	0.008	3	109.4713	0.000	3	109.4662	0.000	5	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:P[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]P[5])(H)3	C[5,5](C[5,5]C[5]O[5]C)(P[5]C[5]ClMo)(C[5]C[5]CH)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5]P[5])(H)3	C[5,5](C[5,5]C[5]O[5]C)(P[5]C[5]ClMo)(C[5]C[5]CH)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CC[5,5]HH)	109.4585	0.013	2	109.4585	0.000	2	109.4662	0.000	5	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:1:1:1:	4:4:4:4:	4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]C[5])(H)3	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]C)(C[5]C[5]HO)(CH3)	H(CC[5,5]HH)	C(C[5,5]C[5,5]C[5,6]C[5])(H)3	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(CC[5,5]HH)	109.4675	0.012	2	109.4675	0.000	2	109.4675	0.000	2	109.5794	1.082	2346	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	3:3:4:4:	4:	C[5,5]-4:C-2:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]N[5,5]C[5])(CN)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,6a]N[5,5]C[5])(CN)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CCHH){1|H<1>,1|O<1>,4|C<3>}	H(CC[5,5]CH)	109.3330	0.062	4	109.3330	0.004	4	109.3330	0.004	4	109.4418	0.035	6	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	3:3:4:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:C-4:	C-4:	C(C[5,5]C[3,5,5]C[5,6a]2)(OH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[3,5,5]C[5,6a]2)(OH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHHO){3|H<1>,5|C<3>}	H(CC[5,5]HO)	109.6595	0.145	2	109.6595	0.021	2	109.6595	0.021	2	109.4418	0.035	6	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	3:4:4:4:	4:	C[5,5]-4:O-2:H-1:H-1:	N[5,5,6]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]N[5,5,6]C[5]2)(OC)(H)2	C[5,5](N[5,5,6]C[5,6]2)(C[5]O[5]HH)2(CHHO)	H(CC[5,5]HO)	C(C[5,5]N[5,5,6]C[5]2)(OC)(H)2	C[5,5](N[5,5,6]C[5,6]2)(C[5]O[5]HH)2(CHHO){2|C<4>,2|H<1>}	H(CC[5,5]HO)	110.4560	0.457	4	110.4560	0.209	4	109.7745	1.579	6	109.5545	1.294	8	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	3:4:4:4:	4:	C[5,5]-4:O-2:H-1:H-1:	N[5,5,6]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]N[5,5,6]C[5]2)(OH)(H)2	C[5,5](N[5,5,6]C[5,6]2)(C[5]O[5]HH)2(CHHO)	H(CC[5,5]HO)	C(C[5,5]N[5,5,6]C[5]2)(OH)(H)2	C[5,5](N[5,5,6]C[5,6]2)(C[5]O[5]HH)2(CHHO){2|C<4>,2|H<1>}	H(CC[5,5]HO)	108.4115	1.302	2	108.4115	1.695	2	109.7745	1.579	6	109.5545	1.294	8	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	3:4:4:4:	4:	C[5,5]-4:O-2:H-1:H-1:	N[5,6]-3:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]N[5,6]C[5])(OH)(H)2	C[5,5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2O)(C[5]C[5,5]HH)(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]N[5,6]C[5])(OH)(H)2	C[5,5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2O)(C[5]C[5,5]HH)(CHHO){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(CC[5,5]HO)	108.8945	0.008	2	108.8945	0.000	2	108.8945	0.000	2	109.5545	1.294	8	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:2:2:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(OC)(H)2	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]O[5]2)(OC)(H)2	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO){1|O<2>,2|H<1>,3|C<4>}	H(CC[5,5]HO)	109.4040	0.000	1	109.4040	0.000	1	109.6400	0.166	4	109.6400	0.166	4	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:2:2:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(OH)(H)2	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]O[5]2)(OH)(H)2	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	H(CC[5,5]HO)	109.1880	0.000	1	109.1880	0.000	1	109.6400	0.166	4	109.6400	0.166	4	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:2:2:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(OH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]O[5]2)(OH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO){1|O<2>,2|H<1>,3|C<4>}	H(CC[5,5]HO)	109.9840	0.017	2	109.9840	0.000	2	109.6400	0.166	4	109.6400	0.166	4	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:3:2:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(OC)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]O[5])(OC)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO){1|H<1>,3|C<4>}	H(CC[5,5]HO)	109.6715	1.295	4	109.6715	1.677	4	109.3575	1.125	10	109.3575	1.125	10	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:3:2:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5]2O)(C[5]O[5]O)(O[5]C[5])(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5]2O)(C[5]O[5]O)(O[5]C[5])(CHHO){1|O<2>,5|H<1>}	H(CC[5,5]HO)	109.2670	0.016	2	109.2670	0.000	2	109.3575	1.125	10	109.3575	1.125	10	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:3:2:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO){1|H<1>,3|C<4>}	H(CC[5,5]HO)	108.0425	0.121	2	108.0425	0.015	2	109.3575	1.125	10	109.3575	1.125	10	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:3:2:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO){1|H<1>,3|C<4>}	H(CC[5,5]HO)	110.1350	0.023	2	110.1350	0.001	2	109.3575	1.125	10	109.3575	1.125	10	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5,6]C[5]O[5])(OC)(H)2	C[5,5](C[5,5,6]C[5,6]2O)(C[5]O[5]HH)(O[5]C[5,6])(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5,6]C[5]O[5])(OC)(H)2	C[5,5](C[5,5,6]C[5,6]2O)(C[5]O[5]HH)(O[5]C[5,6])(CHHO){1|C<4>,2|O<2>,3|H<1>}	H(CC[5,5]HO)	109.4065	0.013	2	109.4065	0.000	2	109.6137	0.058	4	109.5134	0.449	18	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5,6]C[5]O[5])(OH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(O[5]C[5,6])(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5,6]C[5]O[5])(OH)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(O[5]C[5,6])(CHHO){1|O<1>,3|C<4>,4|H<1>}	H(CC[5,5]HO)	109.8210	0.041	2	109.8210	0.002	2	109.6137	0.058	4	109.5134	0.449	18	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]N[5])(OH)(H)2	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HH)(N[5]C[5])(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]N[5])(OH)(H)2	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HH)(N[5]C[5])(CHHO){1|C<3>,1|C<4>,1|H<1>}	H(CC[5,5]HO)	108.8840	0.004	2	108.8840	0.000	2	108.8840	0.000	2	109.5134	0.449	18	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HO)(O[5]C[5,6])(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HO)(O[5]C[5,6])(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[5,5]HO)	109.6545	0.011	2	109.6545	0.000	2	109.5849	0.596	12	109.5134	0.449	18	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HO)(O[5]C[5])(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HO)(O[5]C[5])(CHHO){2|C<4>,2|H<1>}	H(CC[5,5]HO)	109.6310	1.602	2	109.6310	2.567	2	109.5849	0.596	12	109.5134	0.449	18	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO){1|O<1>,2|C<4>}	H(CC[5,5]HO)	108.9815	0.285	2	109.4860	1.292	4	109.5849	0.596	12	109.5134	0.449	18	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO){1|O<2>,3|C<4>}	H(CC[5,5]HO)	109.9905	1.667	2	109.4860	1.292	4	109.5849	0.596	12	109.5134	0.449	18	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(CHHO){2|O<2>,4|H<1>}	H(CC[5,5]HO)	109.7425	0.008	2	109.7425	0.000	2	109.5849	0.596	12	109.5134	0.449	18	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:4:2:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(OSi)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]O[5])(OSi)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(CHHO){1|O<1>,1|O<2>,3|H<1>}	H(CC[5,5]HO)	109.5095	0.013	2	109.5095	0.000	2	109.5849	0.596	12	109.5134	0.449	18	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:4:3:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]2C[5])(OH)(H)2	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]2C[5])(OH)(H)2	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(CHHO){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(CC[5,5]HO)	109.0127	0.099	4	109.0127	0.010	4	109.0127	0.010	4	109.2053	1.281	7	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:4:3:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(OH)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]2)(OH)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(CHHO){1|S<4>,2|C<3>,2|H<1>}	H(CC[5,5]HO)	109.4330	2.703	2	109.4330	7.304	2	109.4620	3.654	3	109.2053	1.281	7	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:4:3:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(OH)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]2)(OH)(H)2	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(CHHO){2|H<1>,3|C<3>}	H(CC[5,5]HO)	109.5200	0.000	1	109.5200	0.000	1	109.4620	3.654	3	109.2053	1.281	7	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:4:4:2:	4:	C[5,5]-4:O-2:H-1:H-1:	C[3x5,6]-4:C[3x5,6]-4:C-4:O-2:	C-4:	C(C[5,5]C[3x5,6]2O)(OC)(H)2	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]2C)(CHHO)(OH)	H(CC[5,5]HO)	C(C[5,5]C[3x5,6]2O)(OC)(H)2	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]2C)(CHHO)(OH){3|H<1>,3|O<2>,5|C<4>}	H(CC[5,5]HO)	109.9927	0.033	3	109.9927	0.001	3	109.9927	0.001	3	109.9927	0.001	3	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(OC)(H)2	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]O[5,6]C)(CHHO)(CH3)	H(CC[5,5]HO)	C(C[5,5]C[5,5,6]2C)(OC)(H)2	C[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]O[5,6]C)(CHHO)(CH3){1|C<3>,2|C<4>}	H(CC[5,5]HO)	110.1330	0.289	4	110.1330	0.083	4	109.6233	0.178	18	109.6017	0.144	26	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(OH)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHO)(CH3)	H(CC[5,5]HO)	C(C[5,5]C[5,5,6]2C)(OH)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHO)(CH3){1|O<1>,1|O<2>,5|H<1>}	H(CC[5,5]HO)	109.5203	0.448	8	109.4776	0.111	14	109.6233	0.178	18	109.6017	0.144	26	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(OH)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHO)(CH3)	H(CC[5,5]HO)	C(C[5,5]C[5,5,6]2C)(OH)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHO)(CH3){1|O<1>,6|H<1>}	H(CC[5,5]HO)	109.4208	0.042	6	109.4776	0.111	14	109.6233	0.178	18	109.6017	0.144	26	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(OC)(H)2	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]2)(OC)(H)2	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(CHHO){1|C<3>,7|H<1>}	H(CC[5,5]HO)	109.7130	0.061	2	109.7130	0.004	2	109.4522	0.143	4	109.6017	0.144	26	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(OH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]C[5]2)(OH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO){3|C<3>,4|H<1>}	H(CC[5,5]HO)	109.1915	0.392	2	109.1915	0.154	2	109.4522	0.143	4	109.6017	0.144	26	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5]-4:O-2:H-1:H-1:	N[3x5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]N[3x5]C[5]2)(OH)(H)2	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO)	H(CC[5,5]HO)	C(C[5,5]N[3x5]C[5]2)(OH)(H)2	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO){1|C<4>,1|O<2>,2|C<3>}	H(CC[5,5]HO)	109.7385	0.008	2	109.6543	0.010	4	109.6543	0.010	4	109.6017	0.144	26	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:1:1:	4:4:4:4:	4:	C[5,5]-4:O-2:H-1:H-1:	N[3x5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]N[3x5]C[5]2)(OH)(H)2	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO)	H(CC[5,5]HO)	C(C[5,5]N[3x5]C[5]2)(OH)(H)2	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5]O[5]HH)2(CHHO){1|H<1>,1|O<2>,2|C<3>}	H(CC[5,5]HO)	109.5700	0.013	2	109.6543	0.010	4	109.6543	0.010	4	109.6017	0.144	26	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:2:1:	4:2:2:4:	4:	C[5,5]-4:C-2:O-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(CN)(OS)(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCHO)	H(CC[5,5]CO)	C(C[5,5]C[5,5]O[5]2)(CN)(OS)(H)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCHO){1|O<2>,2|H<1>,3|C<4>}	H(CC[5,5]CO)	109.5750	0.000	1	109.5750	0.000	1	109.5750	0.000	1	109.5750	0.000	1	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:2:2:1:	4:3:2:4:	4:	C[5,5]-4:O-2:C-2:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(OC[6a])(CC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(CCHO)	H(CC[5,5]CO)	C(C[5,5]C[5,5]C[5]O[5])(OC[6a])(CC)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(CCHO){2|C<4>,3|H<1>}	H(CC[5,5]CO)	110.4150	0.000	1	110.4150	0.000	1	110.4150	0.000	1	110.4150	0.000	1	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	3:3:3:4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(C[5]N[5]O)(CC[6a]HH)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(CC[5,5]C[6a]H)	108.7010	0.027	4	108.7010	0.001	4	108.7010	0.001	4	108.7010	0.001	4	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	3:3:4:2:	4:	C[5,5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C-4:O[5]-2:	C-4:	C(C[5,5]C[5,6a]N[5,5]O[5])(C[5a]C[5a]O[5a])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(CC[5a]HH)(O[5]C[5])	H(CC[5,5]C[5a]H)	C(C[5,5]C[5,6a]N[5,5]O[5])(C[5a]C[5a]O[5a])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(CC[5a]HH)(O[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	H(CC[5,5]C[5a]H)	108.6195	0.012	2	108.6195	0.000	2	108.6195	0.000	2	108.6195	0.000	2	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	3:3:4:4:	4:	C[5,5]-4:N-3:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-4:C-4:	C-4:	C(C[5,5]N[5,5]C[5]2)(NCC)(H)2	C[5,5](N[5,5]C[5,6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]HH)(CHHN)	H(CC[5,5]HN)	C(C[5,5]N[5,5]C[5]2)(NCC)(H)2	C[5,5](N[5,5]C[5,6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]HH)(CHHN){1|C<4>,1|H<1>,2|C<3>}	H(CC[5,5]HN)	108.8150	0.006	2	108.8150	0.000	2	108.8150	0.000	2	108.8150	0.000	2	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	3:4:3:4:	4:	C[5,5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(COO)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,6a]C[5,5]C[5])(COO)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(CCHH){1|H<1>,2|C<4>,4|C<3>}	H(CC[5,5]CH)	108.4710	0.013	2	108.4710	0.000	2	108.4710	0.000	2	108.3468	0.025	6	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	3:4:3:4:	4:	C[5,5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(CC[5a]HH)	H(CC[5,5]C[5a]H)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(CC[5a]HH){1|H<1>,4|C<3>}	H(CC[5,5]C[5a]H)	108.4225	0.037	2	108.4225	0.001	2	108.4225	0.001	2	108.3468	0.025	6	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	3:4:3:4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CC[6a]HH)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(CC[5,5]C[6a]H)	108.1470	0.054	2	108.1470	0.003	2	108.1470	0.003	2	108.3468	0.025	6	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	3:4:4:4:	4:	C[5,5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(CC[6a]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CC[6a]O)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH){1|S<4>,2|C<3>,4|H<1>}	H(CC[5,5]CH)	108.0810	0.065	2	108.0810	0.004	2	108.0810	0.004	2	108.5661	1.701	8	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	3:4:4:4:	4:	C[5,5]-4:C-3:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]N[5,5]C[5]2)(CCH)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HN)(C[5]C[5]HH)(CCHH)	H(CC[5,5]CH)	C(C[5,5]N[5,5]C[5]2)(CCH)(H)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HN)(C[5]C[5]HH)(CCHH){2|C<3>,4|H<1>}	H(CC[5,5]CH)	108.5162	0.281	4	108.5162	0.079	4	108.5162	0.079	4	108.5661	1.701	8	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	3:4:4:4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC[6a]HH)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|C<3>,4|H<1>}	H(CC[5,5]C[6a]H)	109.1510	3.240	2	109.1510	10.497	2	109.1510	10.497	2	108.5661	1.701	8	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:2:2:4:	4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(CCO)(H)2	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]O[5]2)(CCO)(H)2	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(CCHH){1|C<4>,1|O<1>,5|H<1>}	H(CC[5,5]CH)	108.3265	0.025	2	108.3265	0.001	2	108.3265	0.001	2	109.1580	0.922	4	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:2:2:4:	4:	C[5,5]-4:O-3:H-1:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(OPtH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO)	H(CC[5,5]HO)	C(C[5,5]C[5,5]O[5]2)(OPtH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO){1|O<3>,2|H<1>,3|C<4>}	H(CC[5,5]HO)	109.9895	0.030	2	109.9895	0.001	2	109.9895	0.001	2	109.1580	0.922	4	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:2:3:4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:O[5]-2:N[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(N[5]C[5]H)(CC[6a]HH)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(N[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[5,5]C[6a]H)	109.7880	0.007	2	109.7880	0.000	2	109.7880	0.000	2	109.7880	0.000	2	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:3:2:4:	4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(CCC)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6])(O[5]C[5])(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]O[5])(CCC)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6])(O[5]C[5])(CCHH){1|O<2>,2|H<1>,5|C<4>}	H(CC[5,5]CH)	108.0580	0.035	2	108.0580	0.001	2	108.0580	0.001	2	108.0580	0.001	2	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:3:3:4:	4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(CCH)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]O)2(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]2)(CCH)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]O)2(CCHH){2|C<3>,2|H<1>,3|C<4>}	H(CC[5,5]CH)	107.9830	0.010	2	107.9830	0.000	2	108.1482	0.036	4	108.1482	0.036	4	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:3:3:4:	4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(CC[3x6]O)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)2(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]2)(CC[3x6]O)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)2(CCHH){8|H<1>}	H(CC[5,5]CH)	108.3135	0.005	2	108.3135	0.000	2	108.1482	0.036	4	108.1482	0.036	4	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:3:4:2:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:O[5]-2:	C-4:	C(C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[5,5](C[5,5]C[5]2H)(N[5]C[5]H)(CC[6a]HH)(O[5]C[5])	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]2)(H)2	C[5,5](C[5,5]C[5]2H)(N[5]C[5]H)(CC[6a]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	H(CC[5,5]C[6a]H)	109.4240	0.000	1	109.4240	0.000	1	109.4240	0.000	1	109.4240	0.000	1	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:4:3:4:	4:	C[5,5]-4:C-3:H-1:H-1:	C[3x5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[3x5]C[5]2)(CC[6a]O)(H)2	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[3x5]C[5]2)(CC[6a]O)(H)2	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(CCHH){1|C<3>,2|O<2>,6|H<1>}	H(CC[5,5]CH)	108.6185	0.015	2	108.6185	0.000	2	108.6185	0.000	2	108.8412	2.119	11	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:4:3:4:	4:	C[5,5]-4:C-3:H-1:H-1:	C[4,3x5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[4,3x5]C[5]2)(COO)(H)2	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)(C[5]C[5]H)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[4,3x5]C[5]2)(COO)(H)2	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)(C[5]C[5]H)(CCHH){3|C<4>,6|H<1>}	H(CC[5,5]CH)	110.9115	3.102	2	110.9115	9.623	2	110.9115	9.623	2	108.8412	2.119	11	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:4:3:4:	4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5,6]C[5]2)(CC[6a]O)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]O)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5,6]C[5]2)(CC[6a]O)(H)2	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]O)(CCHH){1|N<3>,2|O<2>,6|H<1>}	H(CC[5,5]CH)	108.6890	0.020	3	108.6890	0.000	3	108.6890	0.000	3	108.8412	2.119	11	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:4:3:4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH){1|O<2>,5|H<1>}	H(CC[5,5]C[6a]H)	107.8075	0.012	2	107.8075	0.000	2	107.8075	0.000	2	108.8412	2.119	11	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:4:3:4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(CC[5,5]C[6a]H)	108.2555	0.033	2	108.2555	0.001	2	108.2555	0.001	2	108.8412	2.119	11	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(H)2	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(CC[6a]HH)(H)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(H)2	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]O[5,6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(CC[5,5]C[6a]H)	108.9120	0.010	2	108.9120	0.000	2	108.6430	0.097	4	108.6430	0.097	4	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:4:4:1:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(H)2	C[5,5](C[5,5,6]O[5,6]2C)2(CC[6a]HH)(H)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(H)2	C[5,5](C[5,5,6]O[5,6]2C)2(CC[6a]HH)(H)	H(CC[5,5]C[6a]H)	108.3740	0.006	2	108.3740	0.000	2	108.6430	0.097	4	108.6430	0.097	4	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:4:4:2:	4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C-4:	C(C[5,5]C[5,5,6]2O)(CCH)(H)2	C[5,5](C[5,5,6]C[5,6]2H)2(CCHH)(OH)	H(CC[5,5]CH)	C(C[5,5]C[5,5,6]2O)(CCH)(H)2	C[5,5](C[5,5,6]C[5,6]2H)2(CCHH)(OH){1|C<4>,5|H<1>}	H(CC[5,5]CH)	108.9695	0.022	2	108.9695	0.000	2	108.9695	0.000	2	108.9695	0.000	2	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]2C[5])(CCH)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]2C[5])(CCH)(H)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,6|H<1>}	H(CC[5,5]CH)	108.1165	0.992	4	108.1165	0.984	4	108.1165	0.984	4	108.2227	0.743	35	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(CHO)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]2)(CHO)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CC)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,2|O<1>}	H(CC[5,5]CH)	107.7435	0.018	2	107.7435	0.000	2	108.4127	0.598	4	108.2227	0.743	35	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(COO)(H)2	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]2)(COO)(H)2	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(C[5]C[5]HH)(CCHH){1|O<1>,3|C<4>,4|H<1>}	H(CC[5,5]CH)	109.0820	0.025	2	109.0820	0.001	2	108.4127	0.598	4	108.2227	0.743	35	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:N[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]N[5])(CCH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]HH)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]N[5])(CCH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]HH)(CCHH){8|H<1>}	H(CC[5,5]CH)	108.6255	0.023	2	108.6255	0.001	2	108.6255	0.001	2	108.2227	0.743	35	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(C[6a]C[6a]2)(H)2	C[5,5](C[5,5,6]C[5,6]2C)2(CC[6a]HH)(CH3)	H(CC[5,5]C[6a]H)	C(C[5,5]C[5,5,6]2C)(C[6a]C[6a]2)(H)2	C[5,5](C[5,5,6]C[5,6]2C)2(CC[6a]HH)(CH3){1|N<3>,2|C<4>,3|H<1>}	H(CC[5,5]C[6a]H)	107.5361	0.279	14	107.5361	0.078	14	107.5361	0.078	14	108.2227	0.743	35	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5]-4:N-3:H-1:H-1:	N[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]N[5,5]C[5]2)(NCH)(H)2	C[5,5](N[5,5]C[5]2H)(C[5]C[5]HH)2(CHHN)	H(CC[5,5]HN)	C(C[5,5]N[5,5]C[5]2)(NCH)(H)2	C[5,5](N[5,5]C[5]2H)(C[5]C[5]HH)2(CHHN){8|H<1>}	H(CC[5,5]HN)	108.6431	0.568	8	108.6431	0.323	8	108.6431	0.323	8	108.2227	0.743	35	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:1:1:	4:4:4:4:	4:	C[5,5]-4:O-3:H-1:H-1:	N[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]N[5,5]C[5]2)(OFeH)(H)2	C[5,5](N[5,5]C[5]2Fe)(C[5]O[5]HH)2(CHHO)	H(CC[5,5]HO)	C(C[5,5]N[5,5]C[5]2)(OFeH)(H)2	C[5,5](N[5,5]C[5]2Fe)(C[5]O[5]HH)2(CHHO){2|C<3>,2|H<1>}	H(CC[5,5]HO)	109.9250	0.108	3	109.9250	0.012	3	109.9250	0.012	3	108.2227	0.743	35	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:2:1:	4:4:2:4:	4:	C[5,5]-4:C-3:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(CCC)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(CCHO)	H(CC[5,5]CO)	C(C[5,5]C[5,5]C[5]O[5])(CCC)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(CCHO){1|H<1>,3|C<4>}	H(CC[5,5]CO)	106.4900	0.000	1	106.4900	0.000	1	106.4900	0.000	1	106.4900	0.000	1	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:3:1:	3:4:4:4:	4:	C[5,5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CCH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(CC[6a]CH)	H(CC[5,5]C[6a]C)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CCH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(CC[6a]CH){3|C<3>,3|H<1>}	H(CC[5,5]C[6a]C)	106.3470	0.000	1	106.3470	0.000	1	106.3470	0.000	1	106.3470	0.000	1	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:3:1:	4:4:4:1:	4:	C[5,5]-4:C-3:C-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,5]C[5,5,6]2H)(CCO)2(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CCCH)(H)	H(CC[5,5]CC)	C(C[5,5]C[5,5,6]2H)(CCO)2(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CCCH)(H){1|C<2>,1|C<4>,1|O<2>,5|H<1>}	H(CC[5,5]CC)	113.4050	0.000	1	113.4050	0.000	1	113.4050	0.000	1	113.4050	0.000	1	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:4:1:	3:3:3:4:	4:	C[5,5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CC[6a]CH)	H(CC[5,5]C[6a]C)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CC[6a]CH){2|H<1>,6|C<3>}	H(CC[5,5]C[6a]C)	105.9700	0.000	1	105.9700	0.000	1	105.9700	0.000	1	105.9700	0.000	1	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:4:1:	3:4:3:4:	4:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]N[5,5]C[5]2)(N[5]C[5]2)(CC3)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(CN[5]CH)	H(CC[5,5]N[5]C)	C(C[5,5]N[5,5]C[5]2)(N[5]C[5]2)(CC3)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(CN[5]CH){1|C<4>,5|H<1>}	H(CC[5,5]N[5]C)	103.6580	0.000	1	103.6580	0.000	1	103.6580	0.000	1	103.6580	0.000	1	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:3:4:1:	4:2:2:4:	4:	C[5,5]-4:C-3:C-4:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(CC[5]H)(CH3)(H)	C[5,5](C[5,5]C[5,5]C[5]C)(O[5]C[5,5])(O[5]C[5])(CCCH)	H(CC[5,5]CC)	C(C[5,5]C[5,5]O[5]2)(CC[5]H)(CH3)(H)	C[5,5](C[5,5]C[5,5]C[5]C)(O[5]C[5,5])(O[5]C[5])(CCCH){1|O<1>,2|C<4>,4|H<1>}	H(CC[5,5]CC)	107.3042	0.336	6	107.3042	0.113	6	107.3042	0.113	6	107.3042	0.113	6	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	3:2:3:4:	4:	C[5,5]-4:C-4:H-1:H-1:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	C-4:	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH)	H(CC[5,5]CH)	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(CC[5,5]CH)	108.5122	0.029	4	108.6896	0.025	11	108.6896	0.025	11	108.6896	0.025	11	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	3:2:3:4:	4:	C[5,5]-4:C-4:H-1:H-1:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	C-4:	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH)	H(CC[5,5]CH)	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH){1|N<3>,2|C<4>,2|H<1>}	H(CC[5,5]CH)	108.7367	0.017	3	108.6896	0.025	11	108.6896	0.025	11	108.6896	0.025	11	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	3:2:3:4:	4:	C[5,5]-4:C-4:H-1:H-1:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	C-4:	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH)	H(CC[5,5]CH)	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH){2|H<1>,3|C<4>}	H(CC[5,5]CH)	108.8317	0.113	4	108.6896	0.025	11	108.6896	0.025	11	108.6896	0.025	11	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	3:3:2:4:	4:	C[5,5]-4:C-4:H-1:H-1:	N[5,5]-3:N[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CCHH)	H(CC[5,5]CH)	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(CC[5,5]CH)	108.9590	0.071	2	108.9590	0.005	2	108.9590	0.005	2	108.9590	0.005	2	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	3:3:3:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(CBrHH)(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CBrHH)(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CCHH){2|H<1>,6|C<3>}	H(CC[5,5]CH)	108.7995	0.040	2	108.7995	0.002	2	108.7995	0.002	2	108.7995	0.002	2	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:C-4:	C-4:	C(C[5,5]C[3,5,5]C[5,6a]2)(CH3)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[3,5,5]C[5,6a]2)(CH3)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CCHH){2|C<4>,2|H<1>,4|C<3>}	H(CC[5,5]CH)	108.3760	0.006	2	108.3760	0.000	2	108.3760	0.000	2	107.6833	0.241	35	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	H(CC[5,5]CH)	107.8732	0.531	6	107.7647	0.125	29	107.7647	0.125	29	107.6833	0.241	35	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,6a]2C[3x5])(CCHH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH){2|C<4>,2|H<1>,6|C<3>}	H(CC[5,5]CH)	107.7364	0.301	23	107.7647	0.125	29	107.7647	0.125	29	107.6833	0.241	35	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[5,5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5,6])(C[6]C[6]N[6]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]H)(CC[6]HH)	H(CC[5,5]C[6]H)	C(C[5,5]C[5,6a]C[5,5]C[5,6])(C[6]C[6]N[6]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]H)(CC[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(CC[5,5]C[6]H)	106.8225	0.006	2	106.8225	0.000	2	106.8225	0.000	2	107.6833	0.241	35	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	3:3:4:4:	4:	C[5,5]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]2C[5,5])(C[6]C[6]N[6]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CC[6]HH)	H(CC[5,5]C[6]H)	C(C[5,5]C[5,6a]2C[5,5])(C[6]C[6]N[6]H)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CC[6]HH){2|H<1>,5|C<3>}	H(CC[5,5]C[6]H)	106.6700	0.021	2	106.6700	0.000	2	106.6700	0.000	2	107.6833	0.241	35	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	3:4:2:4:	4:	C[5,5]-4:C-4:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]N[5,5]C[5]O[5])(CC[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(CCHH)	H(CC[5,5]CH)	C(C[5,5]N[5,5]C[5]O[5])(CC[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|C<3>,1|O<1>,5|H<1>}	H(CC[5,5]CH)	109.2310	0.020	2	109.2310	0.000	2	109.2310	0.000	2	109.2310	0.000	2	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(C[5]N[5]O)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(CC[5,5]CH)	108.4791	0.172	8	108.4791	0.029	8	108.4791	0.029	8	108.3557	0.048	13	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5]-3:C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(CH3)(H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]2)(CH3)(H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CCHH){1|C<4>,5|C<3>}	H(CC[5,5]CH)	108.1928	0.107	4	108.1928	0.011	4	108.1928	0.011	4	108.3557	0.048	13	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	3:4:3:4:	4:	C[5,5]-4:C-4:H-1:H-1:	N[5,5]-3:C[5,5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]N[5,5]C[5])(CCCH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]N[5,5]C[5])(CCCH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(CCHH){1|C<4>,1|S<2>,2|C<3>,2|O<1>}	H(CC[5,5]CH)	108.0200	0.000	1	108.0200	0.000	1	108.0200	0.000	1	108.3557	0.048	13	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(CC[5,5]CH)	108.0247	0.041	3	108.0247	0.002	3	108.0247	0.002	3	108.4773	0.318	12	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(CCHH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CCHH)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2H)(C[5]C[5]HH)(CCHH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(CC[5,5]CH)	108.8400	0.024	2	108.8400	0.001	2	108.8400	0.001	2	108.4773	0.318	12	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5,5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,5]N[5]2H)(CCHH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(CC[5,5]CH)	108.3435	0.005	2	108.3435	0.000	2	108.3435	0.000	2	108.4773	0.318	12	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	3:4:4:4:	4:	C[5,5]-4:C-4:H-1:H-1:	O[3x5]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]O[3x5]C[5]2)(CCHH)(H)2	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(CCHH)	H(CC[5,5]CH)	C(C[5,5]O[3x5]C[5]2)(CCHH)(H)2	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(CCHH){4|C<4>,4|H<1>}	H(CC[5,5]CH)	108.6572	0.778	5	108.6572	0.606	5	108.6572	0.606	5	108.4773	0.318	12	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:2:2:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(CH3)(H)2	C[5,5](C[5,5]C[5,5]C[5]C)(O[5]C[5,5])(O[5]C[5])(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]O[5]2)(CH3)(H)2	C[5,5](C[5,5]C[5,5]C[5]C)(O[5]C[5,5])(O[5]C[5])(CCHH){1|O<1>,2|C<4>,4|H<1>}	H(CC[5,5]CH)	108.8135	0.021	2	108.8135	0.000	2	108.8135	0.000	2	108.8135	0.000	2	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:2:3:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5,6]-4:O[5]-2:N[5]-3:C-4:	C-4:	C(C[5,5]C[5,5,6]N[5]O[5])(CCCH)(H)2	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(N[5]C[5]H)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5,6]N[5]O[5])(CCCH)(H)2	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(N[5]C[5]H)(CCHH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(CC[5,5]CH)	107.6538	0.180	4	107.6538	0.033	4	107.6538	0.033	4	107.6538	0.033	4	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:3:2:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[3x5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[3x5]C[5]O[5])(CCHH)(H)2	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(O[5]C[5])(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[3x5]C[5]O[5])(CCHH)(H)2	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(O[5]C[5])(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(CC[5,5]CH)	108.8330	0.018	2	108.8330	0.000	2	108.8330	0.000	2	108.2554	0.292	5	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:3:2:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5,6]C[5,6a]O[5])(CN[5]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5,6]C[5,6a]O[5])(CN[5]HH)(H)2	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(CC[5,5]CH)	108.0640	0.000	1	108.0640	0.000	1	108.0640	0.000	1	108.2554	0.292	5	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:3:2:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:N[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]N[5])(CCHH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)(N[5]N[5])(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]N[5])(CCHH)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)(N[5]N[5])(CCHH){1|C<4>,3|H<1>}	H(CC[5,5]CH)	107.7735	0.013	2	107.7735	0.000	2	107.7735	0.000	2	108.2554	0.292	5	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:3:3:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]C)2(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C[5,5](C[5,5]C[5]2C)(C[5]C[5]C)2(CCHH){4|C<4>}	H(CC[5,5]CH)	108.7531	0.058	14	108.7531	0.003	14	108.7531	0.003	14	108.7531	0.003	14	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[4,5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[4,5,5]C[5]O[5])(CH3)(H)2	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[4,5,5]C[5]O[5])(CH3)(H)2	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|C<3>,2|H<1>,3|C<4>}	H(CC[5,5]CH)	108.7545	0.009	2	108.7545	0.000	2	108.7545	0.000	2	107.7971	0.899	37	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(CCCO)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]O[5])(CCCO)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CCHH){1|O<1>,2|C<4>,2|H<1>}	H(CC[5,5]CH)	106.2900	0.037	2	106.2900	0.001	2	108.1996	1.417	8	107.7971	0.899	37	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(CCHH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]O[5])(CCHH)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CCHH){1|O<1>,2|C<4>,2|H<1>}	H(CC[5,5]CH)	108.8135	0.013	2	108.8135	0.000	2	108.1996	1.417	8	107.7971	0.899	37	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(CH3)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]O[5])(CH3)(H)2	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|O<2>,3|C<4>,4|H<1>}	H(CC[5,5]CH)	108.6300	0.052	2	108.6300	0.003	2	108.1996	1.417	8	107.7971	0.899	37	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(CH3)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(O[5]C[5])(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]O[5])(CH3)(H)2	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(O[5]C[5])(CCHH){1|O<1>,4|H<1>}	H(CC[5,5]CH)	109.0650	0.008	2	109.0650	0.000	2	108.1996	1.417	8	107.7971	0.899	37	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]O[5])(CCHH)(H)2	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5,6]O[5])(CCHH)(H)2	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CCHH){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	H(CC[5,5]CH)	108.5390	0.000	1	108.5390	0.000	1	108.5390	0.000	1	107.7971	0.899	37	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]O[5]C)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]2H)(O[5]C[5])(CC[5]HH)	H(CC[5,5]C[5]H)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]O[5]C)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]2H)(O[5]C[5])(CC[5]HH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(CC[5,5]C[5]H)	107.2360	0.000	1	107.2360	0.000	1	107.0559	0.152	16	107.7971	0.899	37	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]2O)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH)	H(CC[5,5]C[5]H)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]2O)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH){1|O<1>,2|C<4>,2|H<1>}	H(CC[5,5]C[5]H)	107.1835	0.175	8	107.1835	0.030	8	107.0559	0.152	16	107.7971	0.899	37	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH)	H(CC[5,5]C[5]H)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH){1|O<1>,2|C<4>,2|H<1>}	H(CC[5,5]C[5]H)	106.5285	0.311	4	106.5285	0.097	4	107.0559	0.152	16	107.7971	0.899	37	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH)	H(CC[5,5]C[5]H)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH){1|O<1>,2|C<4>,2|H<1>}	H(CC[5,5]C[5]H)	107.3590	0.331	3	107.3590	0.110	3	107.0559	0.152	16	107.7971	0.899	37	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]H)(H)2	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CC[5]HH)	H(CC[5,5]C[5]H)	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]H)(H)2	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CC[5]HH){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	H(CC[5,5]C[5]H)	108.8773	0.054	4	108.8773	0.003	4	108.7061	0.036	8	107.7971	0.899	37	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]O)(H)2	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CC[5]HH)	H(CC[5,5]C[5]H)	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]O)(H)2	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CC[5]HH){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	H(CC[5,5]C[5]H)	108.5350	0.047	4	108.5350	0.002	4	108.7061	0.036	8	107.7971	0.899	37	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(C[6]C[6]2O)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[6]HH)	H(CC[5,5]C[6]H)	C(C[5,5]C[5,5]C[5]O[5])(C[6]C[6]2O)(H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[6]HH){1|O<1>,2|C<4>,2|H<1>}	H(CC[5,5]C[6]H)	107.1510	0.083	2	107.1510	0.007	2	107.1510	0.007	2	107.7971	0.899	37	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(CCHH)(H)2	C[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]O)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5,6]2C)(CCHH)(H)2	C[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]O)(CCHH){8|H<1>}	H(CC[5,5]CH)	108.3937	0.047	4	108.3937	0.002	4	108.3937	0.002	4	108.4455	0.008	6	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:3:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]O[5]O)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]O[5]O)(CCHH){2|C<4>,4|H<1>}	H(CC[5,5]CH)	108.5490	0.037	2	108.5490	0.001	2	108.5490	0.001	2	108.4455	0.008	6	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C[3,5,5]-4:C[3x5]-4:C-4:H-1:	C-4:	C(C[5,5]C[3,5,5]C[3x5]H)(CCCH)(H)2	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CCHH)(H)	H(CC[5,5]CH)	C(C[5,5]C[3,5,5]C[3x5]H)(CCCH)(H)2	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CCHH)(H){1|C<4>,5|H<1>}	H(CC[5,5]CH)	108.5305	0.411	2	108.5305	0.169	2	108.4745	0.584	4	108.5257	0.469	10	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C[3,5,5]-4:C[3x5]-4:C-4:H-1:	C-4:	C(C[5,5]C[3,5,5]C[3x5]H)(CCHO)(H)2	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CCHH)(H)	H(CC[5,5]CH)	C(C[5,5]C[3,5,5]C[3x5]H)(CCHO)(H)2	C[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)(CCHH)(H){1|C<4>,5|H<1>}	H(CC[5,5]CH)	108.4185	1.254	2	108.4185	1.572	2	108.4745	0.584	4	108.5257	0.469	10	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:C-4:H-1:	C-4:	C(C[5,5]C[3x5,6,6]2H)(CCHH)(H)2	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]O)(CCHH)(H)	H(CC[5,5]CH)	C(C[5,5]C[3x5,6,6]2H)(CCHH)(H)2	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]O)(CCHH)(H){1|C<3>,3|H<1>,4|C<4>}	H(CC[5,5]CH)	107.6770	0.020	2	107.6770	0.000	2	107.6770	0.000	2	108.5257	0.469	10	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C[4,5,5]-4:C[5,5]-4:C-4:H-1:	C-4:	C(C[5,5]C[4,5,5]C[5,5]H)(CC[6a]HO)(H)2	C[5,5](C[4,5,5]C[4,5]2O)(C[5,5]C[4,5,5]HH)(CCHH)(H)	H(CC[5,5]CH)	C(C[5,5]C[4,5,5]C[5,5]H)(CC[6a]HO)(H)2	C[5,5](C[4,5,5]C[4,5]2O)(C[5,5]C[4,5,5]HH)(CCHH)(H){5|H<1>}	H(CC[5,5]CH)	108.8340	0.031	2	108.8340	0.001	2	108.8340	0.001	2	108.5257	0.469	10	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,5]C[5,5,6]2H)(CCHH)(H)2	C[5,5](C[5,5,6]O[5,6]2C)2(CCHH)(H)	H(CC[5,5]CH)	C(C[5,5]C[5,5,6]2H)(CCHH)(H)2	C[5,5](C[5,5,6]O[5,6]2C)2(CCHH)(H)	H(CC[5,5]CH)	109.1685	0.011	2	109.1685	0.000	2	109.1685	0.000	2	108.5257	0.469	10	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C-4:	C(C[5,5]C[5,5,6]2O)(CBrHH)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCHH)(OH)	H(CC[5,5]CH)	C(C[5,5]C[5,5,6]2O)(CBrHH)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CCHH)(OH){1|C<4>,1|O<2>,6|H<1>}	H(CC[5,5]CH)	109.3877	0.256	4	109.3877	0.066	4	109.3877	0.066	4	109.3877	0.066	4	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]2)(CC[5,5]HH)(H)2	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5]2)(CC[5,5]HH)(H)2	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)2(CCHH){8|H<1>}	H(CC[5,5]CH)	108.7825	0.049	2	108.7825	0.002	2	108.7825	0.002	2	108.4331	0.743	20	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]C[5])(CC[6]HO)(H)2	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5,6]C[5])(CC[6]HO)(H)2	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH){10|H<1>,1|C<3>,1|C<4>,1|O<1>}	H(CC[5,5]CH)	107.8790	0.010	2	107.8790	0.000	2	108.0169	0.016	7	108.4331	0.743	20	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]C[5])(CHHO)(H)2	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5,6]C[5])(CHHO)(H)2	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH){10|H<1>,1|C<3>,1|C<4>,1|O<1>}	H(CC[5,5]CH)	108.1850	0.006	2	108.0720	0.011	5	108.0169	0.016	7	108.4331	0.743	20	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]C[5])(CHHO)(H)2	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH)	H(CC[5,5]CH)	C(C[5,5]C[5,5]C[5,6]C[5])(CHHO)(H)2	C[5,5](C[5,6]C[5]C[6]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(CCHH){10|H<1>,1|O<1>,2|C<4>}	H(CC[5,5]CH)	107.9967	0.012	3	108.0720	0.011	5	108.0169	0.016	7	108.4331	0.743	20	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:C-4:H-1:H-1:	N[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]N[5,5]C[5]2)(CHHN)(H)2	C[5,5](N[5,5]C[5]2H)(C[5]C[5]HH)2(CCHH)	H(CC[5,5]CH)	C(C[5,5]N[5,5]C[5]2)(CHHN)(H)2	C[5,5](N[5,5]C[5]2H)(C[5]C[5]HH)2(CCHH){8|H<1>}	H(CC[5,5]CH)	108.1320	1.015	2	108.1320	1.031	2	108.1320	1.031	2	108.4331	0.743	20	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:N-4:H-1:H-1:	N[3x5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]N[3x5]C[5]2)(NPdHH)(H)2	C[5,5](N[3x5]C[5,5]2Pd)(C[5]C[5]HH)2(CHHN)	H(CC[5,5]HN)	C(C[5,5]N[3x5]C[5]2)(NPdHH)(H)2	C[5,5](N[3x5]C[5,5]2Pd)(C[5]C[5]HH)2(CHHN){2|C<4>,6|H<1>}	H(CC[5,5]HN)	109.5465	0.013	2	109.5465	0.000	2	109.8385	0.114	4	108.4331	0.743	20	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:N-4:H-1:H-1:	N[3x5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]N[3x5]C[5]2)(NPtHH)(H)2	C[5,5](N[3x5]C[5,5]2Pt)(C[5]C[5]HH)2(CHHN)	H(CC[5,5]HN)	C(C[5,5]N[3x5]C[5]2)(NPtHH)(H)2	C[5,5](N[3x5]C[5,5]2Pt)(C[5]C[5]HH)2(CHHN){2|C<4>,6|H<1>}	H(CC[5,5]HN)	110.1305	0.013	2	110.1305	0.000	2	109.8385	0.114	4	108.4331	0.743	20	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:S-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(SC[6a]OO)(H)2	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(CHHS)(CH3)	H(CC[5,5]HS)	C(C[5,5]C[5,5,6]2C)(SC[6a]OO)(H)2	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)(CHHS)(CH3){2|O<2>,6|H<1>}	H(CC[5,5]HS)	106.7670	0.000	1	106.7670	0.000	1	107.8720	0.382	5	108.4331	0.743	20	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:1:1:	4:4:4:4:	4:	C[5,5]-4:S-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,5]C[5,5,6]2C)(SO3)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHS)(CH3)	H(CC[5,5]HS)	C(C[5,5]C[5,5,6]2C)(SO3)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CHHS)(CH3){1|Br<1>,1|O<1>,5|H<1>}	H(CC[5,5]HS)	108.1483	0.029	4	108.1483	0.001	4	107.8720	0.382	5	108.4331	0.743	20	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:2:1:	4:2:2:4:	4:	C[5,5]-4:C-4:O-2:H-1:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]O[5]2)(CCHO)(OH)(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CCHO)	H(CC[5,5]CO)	C(C[5,5]C[5,5]O[5]2)(CCHO)(OH)(H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CCHO){1|O<2>,2|H<1>,3|C<4>}	H(CC[5,5]CO)	108.0900	0.000	1	108.0900	0.000	1	108.0900	0.000	1	108.0900	0.000	1	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(CC[6]HH)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHO)	H(CC[5,5]CO)	C(C[5,5]C[5,5]C[5]O[5])(CC[6]HH)(OC)(H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHO){1|C<4>,1|H<1>,1|O<1>}	H(CC[5,5]CO)	108.4200	0.000	1	108.4200	0.000	1	108.4200	0.000	1	107.8200	0.162	4	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HO)	H(CC[5,5]C[5]O)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(OH)(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HO){1|O<1>,2|C<4>,2|H<1>}	H(CC[5,5]C[5]O)	107.6200	0.051	3	107.6200	0.003	3	107.6200	0.003	3	107.8200	0.162	4	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:4:1:	3:3:2:4:	4:	C[5,5]-4:C-4:C-4:H-1:	N[5,5]-3:C[5]-3:N[5]-2:C-4:	C-4:	C(C[5,5]N[5,5]C[5]N[5])(CH3)2(H)	C[5,5](N[5,5]C[5]N[5])(C[5]N[5]O)(N[5]C[5])(CCCH)	H(CC[5,5]CC)	C(C[5,5]N[5,5]C[5]N[5])(CH3)2(H)	C[5,5](N[5,5]C[5]N[5])(C[5]N[5]O)(N[5]C[5])(CCCH){1|C<4>,1|O<1>,2|C<3>}	H(CC[5,5]CC)	106.1160	0.000	1	106.1160	0.000	1	106.1160	0.000	1	106.1160	0.000	1	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:4:1:	3:3:3:4:	4:	C[5,5]-4:C-4:C-4:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,6a]N[5,5]C[5])(CH3)2(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]C)(CCCH)	H(CC[5,5]CC)	C(C[5,5]C[5,6a]N[5,5]C[5])(CH3)2(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]C)(CCCH){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(CC[5,5]CC)	107.5450	0.167	2	107.5450	0.028	2	107.5450	0.028	2	107.5450	0.028	2	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:4:1:	3:3:4:4:	4:	C[5,5]-4:C-4:C-4:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]CC)(CCCH)	H(CC[5,5]CC)	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]CC)(CCCH){4|C<3>,4|H<1>}	H(CC[5,5]CC)	107.0260	0.000	1	107.0260	0.000	1	107.0260	0.000	1	107.4470	0.354	2	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:4:1:	3:3:4:4:	4:	C[5,5]-4:C-4:C-4:H-1:	N[5,5]-3:B[5]-3:C[5]-4:C-4:	C-4:	C(C[5,5]N[5,5]B[5]C[5])(CH3)2(H)	C[5,5](N[5,5]C[5,6a]C[5])(B[5]C[5,6a]N)(C[5]C[5]CC)(CCCH)	H(CC[5,5]CC)	C(C[5,5]N[5,5]B[5]C[5])(CH3)2(H)	C[5,5](N[5,5]C[5,6a]C[5])(B[5]C[5,6a]N)(C[5]C[5]CC)(CCCH){2|C<3>,2|C<4>,2|H<1>}	H(CC[5,5]CC)	107.8680	0.000	1	107.8680	0.000	1	107.8680	0.000	1	107.4470	0.354	2	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:4:1:	3:4:4:4:	4:	C[5,5]-4:C-4:C-4:H-1:	O[3x5]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5,5]O[3x5]C[5]2)(CH3)2(H)	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(CCCH)	H(CC[5,5]CC)	C(C[5,5]O[3x5]C[5]2)(CH3)2(H)	C[5,5](O[3x5]C[5,5]2)(C[5]C[5]HH)2(CCCH){4|C<4>,4|H<1>}	H(CC[5,5]CC)	107.9110	0.000	1	107.9110	0.000	1	107.9110	0.000	1	107.9110	0.000	1	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:4:1:	4:2:2:4:	4:	C[5,5]-4:C-4:C-4:H-1:	C[3x5,6,6]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5,5]C[3x5,6,6]O[5]2)(CCHH)(CH3)(H)	C[5,5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5])(O[5]C[5,6,6])(O[5]C[5,5])(CCCH)	H(CC[5,5]CC)	C(C[5,5]C[3x5,6,6]O[5]2)(CCHH)(CH3)(H)	C[5,5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5])(O[5]C[5,6,6])(O[5]C[5,5])(CCCH){1|H<1>,3|C<3>,3|C<4>,3|O<2>}	H(CC[5,5]CC)	107.6290	0.000	1	107.6290	0.000	1	107.6290	0.000	1	107.6290	0.000	1	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:4:1:	4:4:4:1:	4:	C[5,5]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CCCH)(H)	H(CC[5,5]CC)	C(C[5,5]C[5,5,6]2H)(CCHH)(CH3)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(CCCH)(H){1|C<3>,2|C<4>,3|H<1>}	H(CC[5,5]CC)	108.7315	0.795	2	108.7315	0.633	2	108.7315	0.633	2	108.7315	0.633	2	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(C[5]C[5]HH)(CCCH)	H(CC[5,5]CC)	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(C[5]C[5]HH)(CCCH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(CC[5,5]CC)	106.5365	0.302	2	106.5930	0.055	3	106.5930	0.055	3	106.5930	0.055	3	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,5]	H	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C-4:C-4:H-1:	C[5,5]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(C[5]C[5]HH)(CCCH)	H(CC[5,5]CC)	C(C[5,5]C[5,5]C[5,6]C[5])(CCHH)(CH3)(H)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(C[5]C[5]HH)(CCCH){1|O<1>,3|C<3>,3|H<1>}	H(CC[5,5]CC)	106.7060	0.000	1	106.5930	0.055	3	106.5930	0.055	3	106.5930	0.055	3	109.4775	1.197	3668	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(CH3){4|C<3>,4|C<4>}	H(CC[5,6,6]HH)	109.4648	0.049	29	109.4648	0.002	29	109.4752	0.004	153	109.4745	0.003	162	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ir)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ir)(CH3){4|C<3>,4|C<4>}	H(CC[5,6,6]HH)	109.4719	0.038	10	109.4719	0.001	10	109.4752	0.004	153	109.4745	0.003	162	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Mo)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Mo)(CH3){4|C<3>,4|C<4>}	H(CC[5,6,6]HH)	109.4605	0.077	11	109.4605	0.006	11	109.4752	0.004	153	109.4745	0.003	162	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Pd)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Pd)(CH3){4|C<3>,4|C<4>}	H(CC[5,6,6]HH)	109.4780	0.058	21	109.4780	0.003	21	109.4752	0.004	153	109.4745	0.003	162	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Re)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Re)(CH3){4|C<3>,4|C<4>}	H(CC[5,6,6]HH)	109.4919	0.089	10	109.4919	0.008	10	109.4752	0.004	153	109.4745	0.003	162	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ru)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(H)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ru)(CH3){4|C<3>,4|C<4>}	H(CC[5,6,6]HH)	109.4789	0.061	72	109.4789	0.004	72	109.4752	0.004	153	109.4745	0.003	162	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5,6,6]-3:C[3x6]-4:C-4:	C-4:	C(C[5,6,6]N[5,6,6]C[5,6a]C[3x6])(H)3	C[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]N[5,6,6]C[5,6a]C[3x6])(H)3	C[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(CH3){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(CC[5,6,6]HH)	109.4643	0.032	6	109.4643	0.001	6	109.4643	0.001	6	109.4745	0.003	162	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	N[5,5a,6]-3:C[6,6]-3:C[5,6]-4:C-4:	C-4:	C(C[5,6,6]N[5,5a,6]C[5,6]C[6,6])(H)3	C[5,6,6](N[5,5a,6]B[5a,6]N[5,5a])(C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]N[5,5a,6]C[5,6]C[6,6])(H)3	C[5,6,6](N[5,5a,6]B[5a,6]N[5,5a])(C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(CH3){1|O<2>,2|C<4>,5|C<3>}	H(CC[5,6,6]HH)	109.4603	0.031	3	109.4603	0.001	3	109.4603	0.001	3	109.4745	0.003	162	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	N[5,6,6]-3:C[3x6]-4:O[5]-2:C-4:	C-4:	C(C[5,6,6]N[5,6,6]C[3x6]O[5])(H)3	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(O[5]C[5,6a])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]N[5,6,6]C[3x6]O[5])(H)3	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(O[5]C[5,6a])(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(CC[5,6,6]HH)	109.4572	0.067	5	109.4572	0.005	5	109.4572	0.005	5	109.4572	0.005	5	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]N[5,6])(H)3	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[5,6]N[5,6])(H)3	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(CH3){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(CC[5,6,6]HH)	109.4868	0.012	6	109.4868	0.000	6	109.4868	0.000	6	109.4817	0.001	20	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CH3){1|C<3>,4|C<4>,5|H<1>}	H(CC[5,6,6]HH)	109.4942	0.024	5	109.4942	0.001	5	109.4942	0.001	5	109.4817	0.001	20	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6]C[6,6]N[5,6])(H)3	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]C[6,6]N[5,6])(H)3	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(CC[5,6,6]HH)	109.4815	0.036	2	109.4714	0.001	7	109.4714	0.001	7	109.4817	0.001	20	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6]C[6,6]N[5,6])(H)3	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]C[6,6]N[5,6])(H)3	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3){1|H<1>,2|C<4>,5|C<3>}	H(CC[5,6,6]HH)	109.4670	0.006	2	109.4714	0.001	7	109.4714	0.001	7	109.4817	0.001	20	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6]C[6,6]N[5,6])(H)3	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]C[6,6]N[5,6])(H)3	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3){2|C<4>,5|C<3>}	H(CC[5,6,6]HH)	109.4677	0.029	3	109.4714	0.001	7	109.4714	0.001	7	109.4817	0.001	20	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	N[5,6,6]-3:C[6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6,6]N[5,6,6]C[5,6]C[6,6])(H)3	C[5,6,6](N[5,6,6]Ge[5,6]C[6])(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]N[5,6,6]C[5,6]C[6,6])(H)3	C[5,6,6](N[5,6,6]Ge[5,6]C[6])(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(CC[5,6,6]HH)	109.4715	0.047	2	109.4715	0.002	2	109.4715	0.002	2	109.4817	0.001	20	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[4x6]-4:O[5,6]-2:O[5,6]-2:C-4:	C-4:	C(C[5,6,6]C[4x6]O[5,6]2)(H)3	C[5,6,6](C[4x6]C[3x6]C[6,6]2)(O[5,6]C[3x5,6])(O[5,6]C[5,5,6])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[4x6]O[5,6]2)(H)3	C[5,6,6](C[4x6]C[3x6]C[6,6]2)(O[5,6]C[3x5,6])(O[5,6]C[5,5,6])(CH3){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	H(CC[5,6,6]HH)	109.4603	0.050	9	109.4603	0.003	9	109.4603	0.003	9	108.8838	7.594	48	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:O[6,6]-2:O[5]-2:C-4:	C-4:	C(C[5,6,6]C[5,3x6]O[6,6]O[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]C[3x6])(O[5]O[5])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]O[6,6]O[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]C[3x6])(O[5]O[5])(CH3){1|O<2>,2|H<1>,3|C<4>}	H(CC[5,6,6]HH)	109.4642	0.035	4	109.4642	0.001	4	109.4670	0.001	7	108.8838	7.594	48	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:O[6,6]-2:O[5]-2:C-4:	C-4:	C(C[5,6,6]C[5,3x6]O[6,6]O[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O[5]O[5])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]O[6,6]O[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O[5]O[5])(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5,6,6]HH)	109.4707	0.027	3	109.4707	0.001	3	109.4670	0.001	7	108.8838	7.594	48	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	C-4:	C(C[5,6,6]C[5,6]O[5,6]O[6,6])(H)3	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]O[5,6]O[6,6])(H)3	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3){1|Cl<1>,1|O<2>,4|C<4>}	H(CC[5,6,6]HH)	111.3440	2.747	3	109.8827	8.402	15	109.8827	8.402	15	108.8838	7.594	48	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	C-4:	C(C[5,6,6]C[5,6]O[5,6]O[6,6])(H)3	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]O[5,6]O[6,6])(H)3	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3){1|H<1>,1|O<2>,4|C<4>}	H(CC[5,6,6]HH)	109.0248	3.173	9	109.8827	8.402	15	109.8827	8.402	15	108.8838	7.594	48	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	C-4:	C(C[5,6,6]C[5,6]O[5,6]O[6,6])(H)3	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]O[5,6]O[6,6])(H)3	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3){2|O<2>,4|C<4>}	H(CC[5,6,6]HH)	110.9953	1.616	3	109.8827	8.402	15	109.8827	8.402	15	108.8838	7.594	48	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6]-4:Se[6,6]-2:O[5,6]-2:C-4:	C-4:	C(C[5,6,6]Se[6,6]C[5,6]O[5,6])(H)3	C[5,6,6](C[5,6]C[5,5,6]HH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]Se[6,6]C[5,6]O[5,6])(H)3	C[5,6,6](C[5,6]C[5,5,6]HH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(CH3){1|C<4>,1|O<2>,3|H<1>}	H(CC[5,6,6]HH)	109.4900	0.016	3	109.4900	0.000	3	109.4900	0.000	3	108.8838	7.594	48	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C-4:	C(C[5,6,6]C[6,6]O[5,6]2)(H)3	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[6,6]O[5,6]2)(H)3	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3){1|C<3>,1|O<2>,3|C<4>}	H(CC[5,6,6]HH)	107.0216	3.608	14	107.0216	13.020	14	107.0216	13.020	14	108.8838	7.594	48	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C-4:	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|Cr<6>,1|H<1>,1|O<2>,4|C<4>}	H(CC[5,6,6]HH)	109.4890	0.020	2	109.4596	0.001	8	109.4596	0.001	8	109.4596	0.001	8	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C-4:	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|H<1>,1|O<2>,1|W<6>,4|C<4>}	H(CC[5,6,6]HH)	109.4530	0.036	3	109.4596	0.001	8	109.4596	0.001	8	109.4596	0.001	8	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C-4:	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|Mo<6>,1|H<1>,1|O<2>,4|C<4>}	H(CC[5,6,6]HH)	109.4467	0.021	3	109.4596	0.001	8	109.4596	0.001	8	109.4596	0.001	8	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6,6]-4:Cl-1:H-1:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-4:C-4:	C-4:	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(Cl)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[5]C[5]HO)(CClHH)	H(CC[5,6,6]ClH)	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(Cl)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[5]C[5]HO)(CClHH){1|C<3>,3|O<2>,4|H<1>}	H(CC[5,6,6]ClH)	109.4540	0.016	2	109.4540	0.000	2	109.4540	0.000	2	109.4642	0.004	16	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:O[6,6]-2:C[5]-4:C-4:	C-4:	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[4x6])(C[5]C[5]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[4x6])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(CC[5,6,6]HH)	109.4726	0.034	5	109.4726	0.001	5	109.4726	0.001	5	109.4642	0.004	16	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]O[5,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]C[6,6]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]O[5,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]C[6,6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[5,6,6]HH)	109.4619	0.079	9	109.4619	0.006	9	109.4619	0.006	9	109.4642	0.004	16	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[5,6a]-3:N[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]N[5,6,6]C[5,6a]C[3x6])(H)3	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6,6]C[3x6]C[5])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]N[5,6,6]C[5,6a]C[3x6])(H)3	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6,6]C[3x6]C[5])(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(CC[5,6,6]HH)	109.4600	0.085	2	109.4600	0.007	2	109.4600	0.007	2	109.4699	0.002	11	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[3x6]-4:N[5,6]-3:N[5,6]-3:C-4:	C-4:	C(C[5,6,6]C[3x6]N[5,6]2)(H)3	C[5,6,6](C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])2(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[3x6]N[5,6]2)(H)3	C[5,6,6](C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])2(CH3){1|C<3>,3|C<4>,8|H<1>}	H(CC[5,6,6]HH)	109.4867	0.010	3	109.4867	0.000	3	109.4867	0.000	3	109.4699	0.002	11	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-3:C[6]-3:C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]H)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	H(CC[5,6,6]HH)	109.4450	0.064	3	109.4450	0.004	3	109.4450	0.004	3	109.4699	0.002	11	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6,6a]-3:N[5,6]-3:C-4:	C-4:	C(C[5,6,6]C[6,6,6a]C[5,6]N[5,6])(H)3	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6,6a]C[6,6a]2)(N[5,6]C[5]C[6])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[6,6,6a]C[5,6]N[5,6])(H)3	C[5,6,6](C[5,6]C[6,6a]O[5]H)(C[6,6,6a]C[6,6a]2)(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(CC[5,6,6]HH)	109.4847	0.011	3	109.4847	0.000	3	109.4847	0.000	3	109.4699	0.002	11	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[3x5,6,6]-4:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[3x5,6,6]C[5,5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[3x5,6,6]C[5,5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(CC[5,6,6]HH)	109.4513	0.038	3	109.4513	0.001	3	109.4513	0.001	3	109.5737	0.531	21	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(H)3	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(H)3	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	H(CC[5,6,6]HH)	109.4690	0.079	6	109.4690	0.006	6	109.4690	0.006	6	109.5737	0.531	21	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,7|H<1>}	H(CC[5,6,6]HH)	109.4865	0.026	2	109.4865	0.001	2	109.8954	2.474	5	109.5737	0.531	21	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3){2|C<4>,5|H<1>}	H(CC[5,6,6]HH)	110.1680	2.161	3	110.1680	4.669	3	109.8954	2.474	5	109.5737	0.531	21	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]C[6,6])(H)3	C[5,6,6](C[5,6,6]C[3,5,6]C[6]2)(C[5,6]C[3,5,6]O)(C[6,6]C[6,6]HO)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[5,6]C[6,6])(H)3	C[5,6,6](C[5,6,6]C[3,5,6]C[6]2)(C[5,6]C[3,5,6]O)(C[6,6]C[6,6]HO)(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(CC[5,6,6]HH)	109.4800	0.027	2	109.4800	0.001	2	109.4800	0.001	2	109.5737	0.531	21	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2H)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2H)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(CC[5,6,6]HH)	109.4886	0.021	5	109.4886	0.000	5	109.4886	0.000	5	109.5737	0.531	21	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[5,6,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[3x6]O[5])(H)3	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]N[5]O)(O[5]C[5])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[3x6]O[5])(H)3	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]N[5]O)(O[5]C[5])(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CC[5,6,6]HH)	109.4737	0.017	3	109.4737	0.000	3	109.4737	0.000	3	109.4264	2.625	82	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,6,6]C[3x6]C[5,6]O[5,6])(H)3	C[5,6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[6]O[5]O)(O[5,6]C[5,6])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[3x6]C[5,6]O[5,6])(H)3	C[5,6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[6]O[5]O)(O[5,6]C[5,6])(CH3){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(CC[5,6,6]HH)	109.4762	0.023	4	109.4762	0.001	4	109.4762	0.001	4	109.4264	2.625	82	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[4,5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6,6]C[4,5,6,6]C[6,6]O[5])(H)3	C[5,6,6](C[4,5,6,6]C[4,5,6]C[4,6]O)(C[6,6]C[6,6]HO)(O[5]C[5])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[4,5,6,6]C[6,6]O[5])(H)3	C[5,6,6](C[4,5,6,6]C[4,5,6]C[4,6]O)(C[6,6]C[6,6]HO)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	H(CC[5,6,6]HH)	109.4660	0.009	3	109.4660	0.000	3	109.4660	0.000	3	109.4264	2.625	82	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:O[5]-2:C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[3x6]O[5])(H)3	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(O[5]C[5])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]C[3x6]O[5])(H)3	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(O[5]C[5])(CH3){1|O<1>,2|C<4>,9|H<1>}	H(CC[5,6,6]HH)	109.4713	0.007	3	109.4713	0.000	3	109.4713	0.000	3	109.4264	2.625	82	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[5,6,6]O[5])(H)3	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]O)(C[5,6,6]C[5,3x6]O[5]O)(O[5]C[5,5])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]C[5,6,6]O[5])(H)3	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]O)(C[5,6,6]C[5,3x6]O[5]O)(O[5]C[5,5])(CH3){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(CC[5,6,6]HH)	109.4670	0.046	3	109.4670	0.002	3	109.4670	0.002	3	109.4264	2.625	82	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CH3){1|O<2>,4|C<4>,4|H<1>}	H(CC[5,6,6]HH)	109.4793	0.041	3	109.4793	0.002	3	109.4663	0.002	29	109.4264	2.625	82	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3){1|C<3>,3|C<4>,4|H<1>}	H(CC[5,6,6]HH)	109.4698	0.008	6	109.4648	0.002	26	109.4663	0.002	29	109.4264	2.625	82	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3){4|C<4>,4|H<1>}	H(CC[5,6,6]HH)	109.4633	0.050	20	109.4648	0.002	26	109.4663	0.002	29	109.4264	2.625	82	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)3	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,5,6,6]HH)(O[5,6]C[5,5,6,6])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)3	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,5,6,6]HH)(O[5,6]C[5,5,6,6])(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(CC[5,6,6]HH)	109.4783	0.025	3	109.4783	0.001	3	109.4730	0.001	9	109.4264	2.625	82	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)3	C[5,6,6](C[5,6,6]C[5,6]O[5,6]O)(C[5,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)3	C[5,6,6](C[5,6,6]C[5,6]O[5,6]O)(C[5,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(CH3){1|O<2>,3|C<3>,4|C<4>}	H(CC[5,6,6]HH)	109.4653	0.034	3	109.4653	0.001	3	109.4730	0.001	9	109.4264	2.625	82	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)3	C[5,6,6](C[5,6,6]C[5,6]O[5,6]O)(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6,6])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)3	C[5,6,6](C[5,6,6]C[5,6]O[5,6]O)(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6,6])(CH3){1|O<2>,3|C<3>,4|C<4>}	H(CC[5,6,6]HH)	109.4753	0.018	3	109.4753	0.000	3	109.4730	0.001	9	109.4264	2.625	82	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[6,6]-2:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]O[6,6])(H)3	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(O[6,6]C[5,6,6])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[5,6]O[6,6])(H)3	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(O[6,6]C[5,6,6])(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5,6,6]HH)	109.4407	0.027	3	109.4407	0.001	3	109.4407	0.001	3	109.4264	2.625	82	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[6,6]O[5])(H)3	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]O[6]H)(O[5]C[5])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[6,6]O[5])(H)3	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]O[6]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,7|H<1>}	H(CC[5,6,6]HH)	109.4563	0.031	3	109.4563	0.001	3	109.4629	0.001	7	109.4264	2.625	82	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[6,6]O[5])(H)3	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[6,6]O[5])(H)3	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6]C[6]H)(O[5]C[5])(CH3){1|Si<4>,3|C<4>,6|H<1>}	H(CC[5,6,6]HH)	109.4700	0.000	1	109.4700	0.000	1	109.4629	0.001	7	109.4264	2.625	82	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[6,6]O[5])(H)3	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6a]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[6,6]O[5])(H)3	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6a]C[6]H)(O[5]C[5])(CH3){1|Si<4>,3|C<3>,6|H<1>}	H(CC[5,6,6]HH)	109.4670	0.051	3	109.4670	0.003	3	109.4629	0.001	7	109.4264	2.625	82	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)3	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)3	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3){1|C<3>,2|C<4>,2|O<2>}	H(CC[5,6,6]HH)	108.6864	3.538	15	109.2823	12.476	18	109.2823	12.476	18	109.4264	2.625	82	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)3	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)3	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3){1|C<4>,2|C<3>,2|O<2>}	H(CC[5,6,6]HH)	112.2620	1.558	3	109.2823	12.476	18	109.2823	12.476	18	109.4264	2.625	82	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)3	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)3	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5,6,6]HH)	109.4670	0.037	3	109.4641	0.003	12	109.4641	0.003	12	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)3	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)3	C[5,6,6](C[5,3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]O[6,6]O)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CC[5,6,6]HH)	109.4631	0.057	9	109.4641	0.003	12	109.4641	0.003	12	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|Cr<6>,1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(CC[5,6,6]HH)	109.4640	0.041	3	109.4664	0.001	8	109.4595	0.001	13	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|H<1>,1|W<6>,2|C<3>,2|O<2>,3|C<4>}	H(CC[5,6,6]HH)	109.4553	0.028	3	109.4664	0.001	8	109.4595	0.001	13	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|Mo<6>,1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(CC[5,6,6]HH)	109.4865	0.032	2	109.4664	0.001	8	109.4595	0.001	13	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]H)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]H)(CH3){1|C<4>,2|O<2>,3|C<3>}	H(CC[5,6,6]HH)	109.4484	0.029	5	109.4484	0.001	5	109.4595	0.001	13	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5,5]H)(C[6]C[6]O)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5,5]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(CC[5,6,6]HH)	107.5920	1.509	3	107.5920	2.277	3	107.5920	2.277	3	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	H(CC[5,6,6]HH)	109.4675	0.047	2	109.2188	3.547	5	109.5165	3.354	8	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|Br<1>,1|O<2>,2|C<4>,5|H<1>}	H(CC[5,6,6]HH)	109.0530	2.644	3	109.2188	3.547	5	109.5165	3.354	8	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(CC[5,6,6]HH)	110.0127	2.013	3	110.0127	4.053	3	109.5165	3.354	8	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C-4:	C(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(H)3	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(H)3	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>,5|H<1>}	H(CC[5,6,6]HH)	109.4720	0.030	5	109.4720	0.001	5	109.4759	0.001	8	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C-4:	C(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(H)3	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]S)(C[6]C[6]O)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(H)3	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]S)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>,5|H<1>}	H(CC[5,6,6]HH)	109.4823	0.023	3	109.4823	0.001	3	109.4759	0.001	8	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]O)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|O<2>}	H(CC[5,6,6]HH)	109.4710	0.000	1	109.4710	0.000	1	109.4710	0.000	1	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:N[5]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[6,6]N[5])(H)3	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(N[5]C[5]S)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[6,6]N[5])(H)3	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(N[5]C[5]S)(CH3){2|C<3>,9|H<1>}	H(CC[5,6,6]HH)	109.4685	0.035	2	109.4685	0.001	2	109.4685	0.001	2	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6,6](C[5,6]C[3,5,6]C[6a]H)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]H)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6,6](C[5,6]C[3,5,6]C[6a]H)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(CC[5,6,6]HH)	109.4590	0.047	3	109.4590	0.002	3	109.7792	2.309	18	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(CC[5,6,6]HH)	110.0257	3.751	3	110.0257	14.069	3	109.7792	2.309	18	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(C[6,6]C[6,6]O)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(C[6,6]C[6,6]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(CC[5,6,6]HH)	109.4700	0.023	6	109.4700	0.001	6	109.7792	2.309	18	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]2)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]2)(CH3){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(CC[5,6,6]HH)	109.4623	0.015	3	109.4623	0.000	3	109.7792	2.309	18	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(CC[5,6,6]HH)	110.7883	1.828	3	110.7883	3.343	3	109.7792	2.309	18	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	N[5,6,6]-4:C[6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6,6]N[5,6,6]C[5,6]C[6,6])(H)3	C[5,6,6](N[5,6,6]Ge[5,6]C[6]H)(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]N[5,6,6]C[5,6]C[6,6])(H)3	C[5,6,6](N[5,6,6]Ge[5,6]C[6]H)(C[6,6]C[6,6]N[6]C)(C[5,6]N[5,6]C[6])(CH3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(CC[5,6,6]HH)	109.4570	0.031	3	109.4570	0.001	3	109.4570	0.001	3	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	N[5,6]-4:C[3x6]-4:N[5,6]-3:C-4:	C-4:	C(C[5,6,6]C[3x6]N[5,6]2)(H)3	C[5,6,6](N[5,6]C[5]C[6]H)(C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[3x6]N[5,6]2)(H)3	C[5,6,6](N[5,6]C[5]C[6]H)(C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])(CH3){5|C<4>,8|H<1>}	H(CC[5,6,6]HH)	109.4610	0.008	2	109.4610	0.000	2	109.4610	0.000	2	109.4712	1.154	70	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C-4:	C(C[5,6,6]C[3,5,6]C[5,5,6]C[6,6])(H)3	C[5,6,6](C[3,5,6]C[5,5,6,6]C[3]O[3])(C[5,5,6]C[3x5,6]O[5,6]O)(C[6,6]C[4x6]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[3,5,6]C[5,5,6]C[6,6])(H)3	C[5,6,6](C[3,5,6]C[5,5,6,6]C[3]O[3])(C[5,5,6]C[3x5,6]O[5,6]O)(C[6,6]C[4x6]HH)(CH3){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(CC[5,6,6]HH)	109.4603	0.052	10	109.4603	0.003	10	109.4603	0.003	10	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CH3){2|H<1>,3|C<3>,3|C<4>}	H(CC[5,6,6]HH)	109.4503	0.034	3	109.4503	0.001	3	109.4503	0.001	3	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[5,6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]O)(C[5]O[5]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]C[5,6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]O)(C[5]O[5]HH)(CH3){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(CC[5,6,6]HH)	109.4560	0.000	1	109.4560	0.000	1	109.4560	0.000	1	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3){2|H<1>,3|C<3>,3|C<4>}	H(CC[5,6,6]HH)	109.4733	0.025	3	109.4733	0.001	3	109.4721	0.001	9	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]O[5]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]O[5]HH)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[5,6,6]HH)	109.4583	0.026	3	109.4715	0.002	6	109.4721	0.001	9	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]O[5]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5,6,6](C[5,3x6]C[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]O[5]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[5,6,6]HH)	109.4847	0.052	3	109.4715	0.002	6	109.4721	0.001	9	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[5,5,3x6]C[5,6]C[6])(H)3	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]N[5,5,6,6]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,3x6]C[5,6]C[6])(H)3	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]N[5,5,6,6]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,4|C<4>}	H(CC[5,6,6]HH)	109.3492	0.502	6	109.4146	0.119	12	109.4146	0.119	12	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[5,5,3x6]C[5,6]C[6])(H)3	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]N[5,5,6,6]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,3x6]C[5,6]C[6])(H)3	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]H)(C[5,6]N[5,5,6,6]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,4|C<4>}	H(CC[5,6,6]HH)	109.4800	0.022	6	109.4146	0.119	12	109.4146	0.119	12	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(H)3	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(H)3	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[6,6]C[3x6]HH)(C[5]C[5]CH)(CH3){2|H<1>,3|C<3>,3|C<4>}	H(CC[5,6,6]HH)	109.4817	0.030	6	109.4817	0.001	6	109.4804	0.001	9	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(H)3	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(H)3	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(CH3){2|C<4>,2|H<1>,4|C<3>}	H(CC[5,6,6]HH)	109.4780	0.016	3	109.4780	0.000	3	109.4804	0.001	9	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,5,6]C[3x5,6]C[5]C)(C[6]C[6]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,5,6]C[3x5,6]C[5]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(CC[5,6,6]HH)	109.4765	0.028	2	109.4765	0.001	2	109.4765	0.001	2	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[6]2O[5])(C[6]C[6]HO)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5,6,6]C[6]2O[5])(C[6]C[6]HO)(CH3){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(CC[5,6,6]HH)	109.4603	0.041	3	109.4603	0.002	3	109.4603	0.002	3	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6]2)(H)3	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]C[5,6]2)(H)3	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,5,6]HH)(CH3){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(CC[5,6,6]HH)	109.4616	0.029	5	109.4616	0.001	5	109.4616	0.001	5	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HO)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CC[5,6,6]HH)	109.4803	0.013	3	109.4803	0.000	3	109.4720	0.001	6	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HS)(C[6]C[6]HO)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]HS)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(CC[5,6,6]HH)	109.4637	0.038	3	109.4637	0.001	3	109.4720	0.001	6	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6,6])(H)3	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6,6])(H)3	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3){1|O<2>,5|C<4>,5|H<1>}	H(CC[5,6,6]HH)	109.4756	0.036	5	109.4756	0.001	5	109.4782	0.001	14	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6,6])(H)3	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6,6])(H)3	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(CC[5,6,6]HH)	109.4660	0.023	6	109.4797	0.001	9	109.4782	0.001	14	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6,6])(H)3	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6,6])(H)3	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,5,6]CH)(CH3){1|O<2>,5|C<4>,5|H<1>}	H(CC[5,6,6]HH)	109.5070	0.035	3	109.4797	0.001	9	109.4782	0.001	14	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[4,6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6,6]C[4,6,6]C[5,6,6]C[5])(H)3	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[4,6,6]C[4,6]2H)(C[5]C[5]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[4,6,6]C[5,6,6]C[5])(H)3	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[4,6,6]C[4,6]2H)(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	H(CC[5,6,6]HH)	109.4923	0.048	3	109.4923	0.002	3	109.4923	0.002	3	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6])(H)3	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6])(H)3	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3){3|H<1>,4|C<4>,4|O<2>}	H(CC[5,6,6]HH)	109.4765	0.045	6	110.2006	1.739	9	110.2006	1.739	9	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C[6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6])(H)3	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,5,6]C[5,6,6]C[6,6])(H)3	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[3x5,6]C[5]O)(C[6,6]C[5,6,6]HH)(CH3){3|O<2>,4|C<4>,4|H<1>}	H(CC[5,6,6]HH)	111.6487	1.494	3	110.2006	1.739	9	110.2006	1.739	9	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]C[6,6])(H)3	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[5,6]C[6,6])(H)3	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH)(CH3){1|C<4>,1|H<1>,2|O<1>,2|O<2>,3|C<3>}	H(CC[5,6,6]HH)	109.4715	0.006	2	109.4715	0.000	2	109.4767	0.001	7	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]C[6,6])(H)3	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[5,6]C[6,6])(H)3	C[5,6,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[6]O[5]H)(C[6,6]C[6]2H)(CH3){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(CC[5,6,6]HH)	109.4788	0.047	5	109.4788	0.002	5	109.4767	0.001	7	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3){10|H<1>,1|O<2>,2|C<3>}	H(CC[5,6,6]HH)	114.2840	2.194	3	111.5263	8.260	7	110.5023	4.943	14	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]O)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,9|H<1>}	H(CC[5,6,6]HH)	109.4580	0.059	4	111.5263	8.260	7	110.5023	4.943	14	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,6,6]C[6,6a]C[6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,6,6]C[6,6a]C[6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)(CH3){1|C<4>,1|S<4>,2|C<3>,8|H<1>}	H(CC[5,6,6]HH)	109.4557	0.064	3	109.4557	0.004	3	110.5023	4.943	14	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	H(CC[5,6,6]HH)	109.4950	0.031	3	109.4952	0.001	4	110.5023	4.943	14	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)3	C[5,6,6](C[5,6,6]C[6]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	H(CC[5,6,6]HH)	109.4960	0.000	1	109.4952	0.001	4	110.5023	4.943	14	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]C[6,6])(H)3	C[5,6,6](C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]O)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6,6]C[5,6]C[6,6])(H)3	C[5,6,6](C[5,6,6]C[5,6]C[6,6]O)(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]O)(CH3){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(CC[5,6,6]HH)	109.4750	0.017	2	109.4750	0.000	2	109.4750	0.000	2	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,6]HH)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6,6](C[5,6]C[6,6]C[5]H)(C[6,6]C[6]O[6]H)(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(CC[5,6,6]HH)	111.7210	3.693	3	111.7210	13.637	3	111.7210	13.637	3	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(CH3){2|C<3>,2|H<1>,2|O<1>,4|C<4>}	H(CC[5,6,6]HH)	109.4547	0.025	3	109.4547	0.001	3	109.4708	0.001	6	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(CH3)	H(CC[5,6,6]HH)	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(C[5,6]C[6]O[5]H)(CH3){1|O<1>,1|S<2>,4|C<4>,5|H<1>}	H(CC[5,6,6]HH)	109.4870	0.031	3	109.4870	0.001	3	109.4708	0.001	6	109.7010	1.158	118	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	3:3:3:4:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(CC[6a]HH)	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(CC[6a]HH){3|C<4>,6|C<3>}	H(CC[5,6,6]C[6a]H)	108.1570	0.091	2	108.1570	0.008	2	108.1570	0.008	2	108.3198	1.648	28	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	3:3:3:4:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	H(CC[5,6,6]C[6a]H)	108.8335	0.324	6	108.8877	0.086	8	108.6080	1.167	12	108.3198	1.648	28	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	3:3:3:4:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){2|C<4>,6|C<3>}	H(CC[5,6,6]C[6a]H)	109.0505	0.042	2	108.8877	0.086	8	108.6080	1.167	12	108.3198	1.648	28	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	3:3:3:4:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	H(CC[5,6,6]C[6a]H)	107.5570	3.065	2	107.5570	9.392	2	108.6080	1.167	12	108.3198	1.648	28	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	3:3:3:4:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	H(CC[5,6,6]C[6a]H)	108.5400	0.041	2	108.5400	0.002	2	108.6080	1.167	12	108.3198	1.648	28	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	3:3:3:4:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH)	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	H(CC[5,6,6]C[6a]H)	107.4177	2.231	6	107.4177	4.979	6	107.4177	4.979	6	108.3198	1.648	28	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	3:3:3:4:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH)	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH){1|C<4>,7|C<3>}	H(CC[5,6,6]C[6a]H)	108.5865	0.239	4	108.5865	0.057	4	108.6049	0.026	8	108.3198	1.648	28	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	3:3:3:4:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH)	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]2C[6,6,6a])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH){1|C<4>,7|C<3>}	H(CC[5,6,6]C[6a]H)	108.6232	0.046	4	108.6232	0.002	4	108.6049	0.026	8	108.3198	1.648	28	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	3:3:4:4:	4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CCH)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CCH)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(CCHH){8|C<3>}	H(CC[5,6,6]CH)	108.8770	0.247	2	108.8770	0.061	2	108.5395	0.064	12	108.6269	0.047	22	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	3:3:4:4:	4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(COO)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(COO)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(CCHH){4|C<3>,4|C<4>}	H(CC[5,6,6]CH)	108.4720	0.204	10	108.4720	0.041	10	108.5395	0.064	12	108.6269	0.047	22	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	3:3:4:4:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CC[6a]HH)	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CC[6a]HH){8|C<3>}	H(CC[5,6,6]C[6a]H)	108.6315	0.012	2	108.6315	0.000	2	108.7318	0.009	10	108.6269	0.047	22	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	3:3:4:4:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH)	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH){8|C<3>}	H(CC[5,6,6]C[6a]H)	108.7310	0.072	2	108.7310	0.005	2	108.7318	0.009	10	108.6269	0.047	22	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	3:3:4:4:	4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH)	H(CC[5,6,6]C[6a]H)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH){8|C<3>}	H(CC[5,6,6]C[6a]H)	108.7655	0.098	6	108.7655	0.010	6	108.7318	0.009	10	108.6269	0.047	22	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	4:3:2:4:	4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:O[5]-2:C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[6,6]O[5])(CCH)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,3x6]C[6,6]O[5])(CCH)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(CCHH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5,6,6]CH)	109.5210	0.027	2	109.5210	0.001	2	109.5210	0.001	2	108.8081	0.188	18	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	4:3:2:4:	4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C-4:	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(CC[5,6,6]CH)	109.0763	0.143	3	109.0763	0.020	3	108.7190	0.137	16	108.8081	0.188	18	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	4:3:2:4:	4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C-4:	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(CC[5,6,6]CH)	108.9675	0.040	2	108.6365	0.128	13	108.7190	0.137	16	108.8081	0.188	18	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	4:3:2:4:	4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C-4:	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,2|H<1>,4|C<4>}	H(CC[5,6,6]CH)	108.7353	0.365	4	108.6365	0.128	13	108.7190	0.137	16	108.8081	0.188	18	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	4:3:2:4:	4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C-4:	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,3|H<1>,4|C<4>}	H(CC[5,6,6]CH)	108.4488	0.365	6	108.6365	0.128	13	108.7190	0.137	16	108.8081	0.188	18	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	4:3:2:4:	4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C-4:	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|H<1>,3|C<3>,3|C<4>}	H(CC[5,6,6]CH)	108.7060	0.000	1	108.6365	0.128	13	108.7190	0.137	16	108.8081	0.188	18	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(CCH)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(CCH)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	H(CC[5,6,6]CH)	108.6270	0.000	1	108.6270	0.000	1	108.3560	0.147	2	108.3560	0.147	2	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(COO)(H)2	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(COO)(H)2	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(CC[5,6,6]CH)	108.0850	0.000	1	108.0850	0.000	1	108.3560	0.147	2	108.3560	0.147	2	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CCH)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CCH)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2Br)(C[5]C[5]HH)(CCHH){1|C<3>,1|O<1>,1|O<2>,6|H<1>}	H(CC[5,6,6]CH)	107.8330	0.000	1	107.8330	0.000	1	108.8148	0.309	5	108.2567	0.374	12	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CCH)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CCH)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(C[5]C[5]HH)(CCHH){1|C<3>,1|O<1>,1|O<2>,6|H<1>}	H(CC[5,6,6]CH)	109.0602	0.105	4	109.0602	0.011	4	108.8148	0.309	5	108.2567	0.374	12	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]2)(N[6]C[6]2)(H)2	C[5,6,6](C[5,6,6]C[5,6]2C)(C[5,6]C[6]N[5]H)(C[5,6]C[5,6]CC)(CN[6]HH)	H(CC[5,6,6]N[6]H)	C(C[5,6,6]C[5,6,6]C[5,6]2)(N[6]C[6]2)(H)2	C[5,6,6](C[5,6,6]C[5,6]2C)(C[5,6]C[6]N[5]H)(C[5,6]C[5,6]CC)(CN[6]HH){1|N<3>,4|H<1>,5|C<4>}	H(CC[5,6,6]N[6]H)	107.8581	0.185	7	107.8581	0.034	7	107.8581	0.034	7	108.2567	0.374	12	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:3:1:	3:3:3:4:	4:	C[5,6,6]-4:C[6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)2(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]2H)	H(CC[5,6,6]C[6a]2)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)2(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]2H){1|C<4>,7|C<3>}	H(CC[5,6,6]C[6a]2)	105.2170	0.000	1	105.2170	0.000	1	105.2170	0.000	1	105.2170	0.000	1	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:3:1:	4:3:3:4:	4:	C[5,6,6]-4:C[6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C-4:	C(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(H)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(CC[6a]2H)	H(CC[5,6,6]C[6a]2)	C(C[5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)2(H)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(CC[6a]2H){11|C<3>}	H(CC[5,6,6]C[6a]2)	105.4510	0.000	1	105.4510	0.000	1	105.4510	0.000	1	105.4510	0.000	1	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:3:4:1:	3:3:3:4:	4:	C[5,6,6]-4:C[6a]-3:C-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(CSiHH)(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]CH)	H(CC[5,6,6]C[6a]C)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(CSiHH)(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]CH){1|C<4>,7|C<3>}	H(CC[5,6,6]C[6a]C)	107.2850	0.000	1	107.2850	0.000	1	107.2850	0.000	1	107.2850	0.000	1	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	3:3:3:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[6,6])(CClHH)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a])2(C[6,6]C[6]2)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6a]2C[6,6])(CClHH)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a])2(C[6,6]C[6]2)(CCHH){2|H<1>,6|C<3>}	H(CC[5,6,6]CH)	109.1265	0.023	2	109.1265	0.001	2	109.1265	0.001	2	107.1937	1.236	9	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	3:3:3:4:	4:	C[5,6,6]-4:Si-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH)	H(CC[5,6,6]SiH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH){1|H<1>,2|C<4>,6|C<3>}	H(CC[5,6,6]SiH)	106.5347	0.234	3	106.6414	0.046	7	106.6414	0.046	7	107.1937	1.236	9	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	3:3:3:4:	4:	C[5,6,6]-4:Si-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH)	H(CC[5,6,6]SiH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH){3|C<4>,5|C<3>}	H(CC[5,6,6]SiH)	106.7215	0.191	4	106.6414	0.046	7	106.6414	0.046	7	107.1937	1.236	9	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6,6]-4:Si-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiCCO)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C[6a])(CSiHH)	H(CC[5,6,6]SiH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiCCO)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C[6a])(CSiHH){10|C<3>}	H(CC[5,6,6]SiH)	106.6055	4.115	2	106.6055	16.930	2	106.6160	3.393	6	106.6160	3.393	6	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6,6]-4:Si-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiCCO)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CSiHH)	H(CC[5,6,6]SiH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiCCO)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CSiHH){8|C<3>}	H(CC[5,6,6]SiH)	106.7150	0.017	2	106.7150	0.000	2	106.6160	3.393	6	106.6160	3.393	6	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6,6]-4:Si-4:H-1:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2H)(CSiHH)	H(CC[5,6,6]SiH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2H)(CSiHH){2|C<4>,6|C<3>}	H(CC[5,6,6]SiH)	106.5275	0.012	2	106.5275	0.000	2	106.6160	3.393	6	106.6160	3.393	6	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	N[5,6,6]-3:C[3x6]-4:C[5]-3:C-4:	C-4:	C(C[5,6,6]N[5,6,6]C[3x6]C[5])(CCHH)(H)2	C[5,6,6](N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5]O)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]N[5,6,6]C[3x6]C[5])(CCHH)(H)2	C[5,6,6](N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5]O)(CCHH){1|C<3>,1|C<4>,6|H<1>}	H(CC[5,6,6]CH)	108.5775	0.016	2	108.5775	0.000	2	108.5775	0.000	2	108.5775	0.000	2	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[3x6]-4:N[5,6,6]-3:C[5]-3:C-4:	C-4:	C(C[5,6,6]N[5,6,6]C[3x6]C[5])(CCHH)(H)2	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5,6,6]C[3x6]C[5])(C[5]C[5]O)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]N[5,6,6]C[3x6]C[5])(CCHH)(H)2	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5,6,6]C[3x6]C[5])(C[5]C[5]O)(CCHH){1|C<4>,2|C<3>,5|H<1>}	H(CC[5,6,6]CH)	108.6680	0.045	2	108.6680	0.002	2	108.6680	0.002	2	108.6680	0.002	2	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[3x6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(CN[5]HH)(H)2	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(CN[5]HH)(H)2	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]2H)(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(CC[5,6,6]CH)	108.6550	0.363	2	108.6550	0.132	2	108.6550	0.132	2	108.6420	0.217	6	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[6,6a]C[5,6])(CN[5]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6]C[6,6a]C[5,6])(CN[5]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(CC[5,6,6]CH)	109.1230	0.038	2	109.1230	0.001	2	109.1230	0.001	2	108.6420	0.217	6	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5]2H)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(C[5]C[5]HH)(CC[5]HH)	H(CC[5,6,6]C[5]H)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5]2H)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(C[5]C[5]HH)(CC[5]HH){1|H<1>,2|C<3>,5|C<4>}	H(CC[5,6,6]C[5]H)	108.1480	0.014	2	108.1480	0.000	2	108.1480	0.000	2	108.6420	0.217	6	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,4x6]-4:C[3x6]-4:O[5]-2:C-4:	C-4:	C(C[5,6,6]C[5,4x6]C[3x6]O[5])(CCHH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,4x6]C[3x6]O[5])(CCHH)(H)2	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(CCHH){3|C<4>,4|C<3>,4|H<1>}	H(CC[5,6,6]CH)	107.9225	0.026	2	107.9225	0.001	2	107.9225	0.001	2	108.0312	0.017	6	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(CN[5]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(CN[5]HH)(H)2	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CCHH){1|C<3>,1|N<4>,3|C<4>,4|H<1>}	H(CC[5,6,6]CH)	108.0855	0.128	4	108.0855	0.016	4	108.0855	0.016	4	108.0312	0.017	6	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:N[6,6]-3:C-4:	C-4:	C(C[5,6,6]C[3,5,6]C[5,6]N[6,6])(CCCH)(H)2	C[5,6,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[3,5,6]C[5,6]N[6,6])(CCCH)(H)2	C[5,6,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(CCHH){11|H<1>,1|C<3>,1|C<4>,1|O<2>}	H(CC[5,6,6]CH)	107.3195	0.056	2	107.3195	0.003	2	107.3195	0.003	2	107.7341	2.026	12	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(CH3)(H)2	C[5,6,6](C[5,3x6]C[4x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(CH3)(H)2	C[5,6,6](C[5,3x6]C[4x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH){1|C<3>,2|C<2>,3|C<4>,6|H<1>}	H(CC[5,6,6]CH)	108.0255	3.195	2	108.0255	10.211	2	108.0255	10.211	2	107.7341	2.026	12	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHO)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHO)(H)2	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHH){1|O<1>,2|C<4>,4|H<1>}	H(CC[5,6,6]CH)	106.3605	0.015	2	106.3605	0.000	2	106.3605	0.000	2	107.7341	2.026	12	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(CH3)(H)2	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(C[5]N[5]O)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(CH3)(H)2	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(C[5]N[5]O)(CCHH){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	H(CC[5,6,6]CH)	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	107.7341	2.026	12	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CCHH)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CCHH)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH){1|C<3>,2|C<2>,2|C<4>,4|H<1>}	H(CC[5,6,6]CH)	107.2795	1.883	2	107.2795	3.546	2	108.1362	1.503	5	107.7341	2.026	12	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CH3)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CH3)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(CCHH){1|C<3>,2|C<2>,3|C<4>,3|H<1>}	H(CC[5,6,6]CH)	108.7073	0.104	3	108.7073	0.011	3	108.1362	1.503	5	107.7341	2.026	12	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CCHH)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CCHH)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<3>,3|C<4>}	H(CC[5,6,6]CH)	108.8820	0.008	2	108.8820	0.000	2	108.6648	0.034	18	108.5919	0.505	29	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CH3)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CH3)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<3>,3|C<4>}	H(CC[5,6,6]CH)	108.6510	0.044	4	108.6510	0.002	4	108.6648	0.034	18	108.5919	0.505	29	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CH3)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CH3)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH){1|H<1>,3|C<3>,4|C<4>}	H(CC[5,6,6]CH)	108.7350	0.000	1	108.7216	0.022	5	108.6648	0.034	18	108.5919	0.505	29	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CH3)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CH3)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<3>,3|C<4>}	H(CC[5,6,6]CH)	108.7183	0.172	4	108.7216	0.022	5	108.6648	0.034	18	108.5919	0.505	29	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CH3)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HO)(C[6]C[6]HH)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CH3)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HO)(C[6]C[6]HH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(CC[5,6,6]CH)	108.5083	0.315	3	108.5701	0.051	7	108.6648	0.034	18	108.5919	0.505	29	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[3x5,6,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CH3)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HO)(C[6]C[6]HH)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(CH3)(H)2	C[5,6,6](C[3x5,6,6]C[3x5,6]N[5,6]O[5,5])(C[5,6]C[5,5,6]HO)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<3>,3|C<4>}	H(CC[5,6,6]CH)	108.6165	0.172	4	108.5701	0.051	7	108.6648	0.034	18	108.5919	0.505	29	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,5,6]C[5,6]C[6,6])(CCHH)(H)2	C[5,6,6](C[5,5,6]O[5,6]C[5]2)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,5,6]C[5,6]C[6,6])(CCHH)(H)2	C[5,6,6](C[5,5,6]O[5,6]C[5]2)(C[5,6]C[5]C[6]H)(C[6,6]C[6]O[6]H)(CCHH){1|O<1>,3|C<4>,8|H<1>}	H(CC[5,6,6]CH)	108.5435	1.771	2	108.5435	3.138	2	108.3362	0.828	5	108.5919	0.505	29	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,5,6]C[5,6]C[6,6])(CH3)(H)2	C[5,6,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HO)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,5,6]C[5,6]C[6,6])(CH3)(H)2	C[5,6,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6]C[5,6]HH)(C[6,6]C[6,6]HO)(CCHH){1|O<2>,2|C<3>,4|C<4>}	H(CC[5,6,6]CH)	108.1980	0.122	3	108.1980	0.015	3	108.3362	0.828	5	108.5919	0.505	29	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-4:C-4:	C-4:	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CCHH)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CCHH)(H)2	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2C)(C[5]C[5]HH)(CCHH){1|C<3>,2|C<2>,2|C<4>,3|H<1>}	H(CC[5,6,6]CH)	110.2905	0.323	2	110.2905	0.104	2	110.2905	0.104	2	108.5919	0.505	29	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:C-4:	C-4:	C(C[5,6,6]C[5,6]2C[6,6])(CC[5]HO)(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH)	H(CC[5,6,6]CH)	C(C[5,6,6]C[5,6]2C[6,6])(CC[5]HO)(H)2	C[5,6,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(C[6,6]C[5,6,6]CH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	H(CC[5,6,6]CH)	107.7343	0.578	4	107.7343	0.334	4	107.7343	0.334	4	108.5919	0.505	29	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,6,6]-4:C-4:O-2:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHH)(OH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO)	H(CC[5,6,6]CO)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHH)(OH)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO){1|O<1>,2|C<4>,4|H<1>}	H(CC[5,6,6]CO)	106.5067	1.876	3	106.5067	3.519	3	106.5067	3.519	3	106.8015	2.694	4	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:2:1:	4:4:3:4:	4:	C[5,6,6]-4:C-4:O-2:H-1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6,6]C[5,4x6]C[6,6]C[5])(CCHH)(OH)(H)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO)	H(CC[5,6,6]CO)	C(C[5,6,6]C[5,4x6]C[6,6]C[5])(CCHH)(OH)(H)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO){1|N<3>,1|O<2>,3|C<4>,6|H<1>}	H(CC[5,6,6]CO)	107.6860	0.000	1	107.6860	0.000	1	107.6860	0.000	1	106.8015	2.694	4	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6,6]	H	4:4:4:1:	4:4:3:4:	4:	C[5,6,6]-4:C-4:C-4:H-1:	C[5,6]-4:Si[5,6]-4:C[6,6]-3:C-4:	C-4:	C(C[5,6,6]Si[5,6]C[5,6]C[6,6])(CH3)2(H)	C[5,6,6](C[5,6]Si[5]C[6]H)(Si[5,6]N[6]O[5]N)(C[6,6]N[5,6]C[6])(CCCH)	H(CC[5,6,6]CC)	C(C[5,6,6]Si[5,6]C[5,6]C[6,6])(CH3)2(H)	C[5,6,6](C[5,6]Si[5]C[6]H)(Si[5,6]N[6]O[5]N)(C[6,6]N[5,6]C[6])(CCCH){1|H<1>,3|C<3>,3|C<4>}	H(CC[5,6,6]CC)	106.3200	0.000	1	106.3200	0.000	1	106.3200	0.000	1	106.3200	0.000	1	109.1849	1.686	723	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:2:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:O[6]-2:C[5]-3:C-4:	C-4:	C(C[5,6]O[5,6]C[5]O[6])(H)3	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]O[6])(H)3	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]O[5]O)(CH3){1|H<1>,2|C<3>}	H(CC[5,6]HH)	109.3740	0.143	3	109.3740	0.021	3	109.3740	0.021	3	109.3740	0.021	3	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[6]-3:C[5]-3:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3){1|Br<1>,1|C<3>,2|H<1>}	H(CC[5,6]HH)	109.4720	0.016	3	109.4720	0.000	3	109.4720	0.000	3	109.4720	0.000	3	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[5]-3:C[6]-4:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]O)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]O)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4985	0.008	2	109.4985	0.000	2	109.4985	0.000	2	109.4985	0.000	2	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[5]O[6])(H)3	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]O[6])(H)3	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[5,6]HH)	109.8040	1.752	3	109.8040	3.069	3	109.7386	0.943	11	109.3479	2.154	76	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[5]O[6])(H)3	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]O[6])(H)3	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CH3){2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4915	0.039	2	109.4915	0.002	2	109.7386	0.943	11	109.3479	2.154	76	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[5]O[6])(H)3	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]O[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]O[6])(H)3	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]O[6])(CH3){1|C<4>,3|H<1>}	H(CC[5,6]HH)	109.8463	0.652	3	109.8463	0.425	3	109.7386	0.943	11	109.3479	2.154	76	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[5]O[6])(H)3	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(O[6]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]O[6])(H)3	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(O[6]C[6])(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CC[5,6]HH)	109.7303	1.065	3	109.7303	1.134	3	109.7386	0.943	11	109.3479	2.154	76	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,3x6])(C[6]C[6,6]HH)(O[5]C[5,6])(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,3x6])(C[6]C[6,6]HH)(O[5]C[5,6])(CH3){1|O<2>,2|C<3>,3|C<4>}	H(CC[5,6]HH)	109.5030	0.020	3	109.5030	0.000	3	109.2818	2.346	65	109.3479	2.154	76	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){1|C<3>,2|O<2>,3|C<4>}	H(CC[5,6]HH)	108.7425	2.141	6	108.7145	5.517	15	109.2818	2.346	65	109.3479	2.154	76	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){2|O<2>,4|C<4>}	H(CC[5,6]HH)	108.6959	2.605	9	108.7145	5.517	15	109.2818	2.346	65	109.3479	2.154	76	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3){1|C<3>,1|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4740	0.013	2	109.4740	0.000	2	109.2818	2.346	65	109.3479	2.154	76	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4750	0.016	8	109.3987	3.466	19	109.2818	2.346	65	109.3479	2.154	76	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3){4|C<4>}	H(CC[5,6]HH)	109.3432	2.496	11	109.3987	3.466	19	109.2818	2.346	65	109.3479	2.154	76	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]O[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4683	0.018	3	109.4683	0.000	3	109.2818	2.346	65	109.3479	2.154	76	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(CC[5,6]HH)	109.4663	0.050	3	109.4672	0.001	6	109.2818	2.346	65	109.3479	2.154	76	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3){3|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4680	0.024	3	109.4672	0.001	6	109.2818	2.346	65	109.3479	2.154	76	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4563	0.028	3	109.4680	0.001	11	109.2818	2.346	65	109.3479	2.154	76	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4724	0.022	8	109.4680	0.001	11	109.2818	2.346	65	109.3479	2.154	76	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[5,6]HH)	109.6007	1.432	3	109.6007	2.051	3	109.2818	2.346	65	109.3479	2.154	76	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6])(C[6]N[6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](O[5,6]C[5,6])(C[6]N[6]HH)(O[5]C[5])(CH3){1|C<4>,1|S<4>,3|H<1>}	H(CC[5,6]HH)	109.4690	0.039	3	109.4690	0.001	3	109.2818	2.346	65	109.3479	2.154	76	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	H(CC[5,6]HH)	109.4810	0.006	2	109.4712	0.000	4	109.4712	0.000	4	109.4712	0.000	4	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3){3|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4615	0.006	2	109.4712	0.000	4	109.4712	0.000	4	109.4712	0.000	4	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](O[5,6]C[3x5,6])(C[5]C[5,5]HO)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](O[5,6]C[3x5,6])(C[5]C[5,5]HO)(C[6]C[6]CH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4690	0.022	4	109.4690	0.000	4	109.4636	0.000	12	109.4155	0.026	18	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[5,6]HH)	109.4640	0.021	2	109.4640	0.000	2	109.4636	0.000	12	109.4155	0.026	18	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](O[5,6]C[5,6])(C[5]C[5]SiH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](O[5,6]C[5,6])(C[5]C[5]SiH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4598	0.025	6	109.4598	0.001	6	109.4636	0.000	12	109.4155	0.026	18	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	O[5,6]-2:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]BrH)(C[5]C[5]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](O[5,6]C[5,6])(C[6]C[6]BrH)(C[5]C[5]HO)(CH3){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4880	0.037	4	109.4880	0.001	4	109.4880	0.001	4	109.4155	0.026	18	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	2:4:4:4:	4:	C[5,6]-4:H-1:H-1:I-1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(H)2(I)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(CHHI)	H(CC[5,6]HI)	C(C[5,6]O[5,6]C[5]C[6])(H)2(I)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(CHHI){1|H<1>,1|O<2>,4|C<4>}	H(CC[5,6]HI)	108.9820	0.051	2	108.9820	0.003	2	108.9820	0.003	2	109.4155	0.026	18	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:2:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:O[5,6]-2:O[5]-2:C-4:	C-4:	C(C[5,6]C[6,6]O[5,6]O[5])(H)3	C[5,6](C[6,6]C[6,6]N[6])(O[5,6]C[5,6])(O[5]O[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6]O[5,6]O[5])(H)3	C[5,6](C[6,6]C[6,6]N[6])(O[5,6]C[5,6])(O[5]O[5])(CH3){2|C<3>,3|C<4>}	H(CC[5,6]HH)	109.4810	0.040	2	109.4810	0.002	2	109.4810	0.002	2	109.4810	0.002	2	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:2:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:Se[6]-2:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]Se[6]C[5])(H)3	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]Se[6]C[5])(H)3	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3){1|C<3>,3|C<4>}	H(CC[5,6]HH)	108.6330	3.308	3	108.6330	10.940	3	108.6330	10.940	3	109.2101	2.591	10	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:2:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5,6]-2:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6a]O[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]O[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4655	0.069	2	109.4655	0.005	2	109.4655	0.005	2	109.2101	2.591	10	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:2:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:O[5,6]-2:C[5]-3:C-4:	C-4:	C(C[5,6]C[6,6a]O[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]O[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CC[5,6]HH)	109.4542	0.039	5	109.4542	0.002	5	109.4542	0.002	5	109.2101	2.591	10	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:2:4:	4:	C[5,6]-4:Cl-1:H-1:H-1:	C[6,6a]-3:N[5,6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[6,6a]N[5,6]O[5])(Cl)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(CClHH)	H(CC[5,6]ClH)	C(C[5,6]C[6,6a]N[5,6]O[5])(Cl)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(CClHH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(CC[5,6]ClH)	108.8670	0.000	1	108.8670	0.000	1	108.8670	0.000	1	109.4401	0.021	18	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]O)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]O)(O[5]C[5])(CH3){1|H<1>,1|O<1>,3|C<3>}	H(CC[5,6]HH)	109.4793	0.014	3	109.4793	0.000	3	109.4793	0.000	3	109.4401	0.021	18	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])(CH3){3|H<1>,5|C<3>}	H(CC[5,6]HH)	109.4723	0.022	6	109.4723	0.000	6	109.4723	0.000	6	109.4401	0.021	18	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:S[6]-2:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]S[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(S[6]C[5,6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]S[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(S[6]C[5,6])(CH3){1|Ni<4>,1|C<4>,1|H<1>,5|C<3>}	H(CC[5,6]HH)	109.4744	0.041	5	109.4744	0.002	5	109.4744	0.002	5	109.4401	0.021	18	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:O[6]-2:C-4:	C-4:	C(C[5,6]N[5,6]C[5]O[6])(H)3	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(O[6]C[6,6a])(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]O[6])(H)3	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(O[6]C[6,6a])(CH3){1|O<1>,4|C<3>}	H(CC[5,6]HH)	109.4703	0.015	3	109.4703	0.000	3	109.4703	0.000	3	109.4401	0.021	18	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-3:C[5]-3:N[6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]N[6])(H)3	C[5,6](C[5,5,6]C[5,5,6]N[5])(C[5]C[5]O)(N[6]C[6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]N[6])(H)3	C[5,6](C[5,5,6]C[5,5,6]N[5])(C[5]C[5]O)(N[6]C[6]C)(CH3){2|C<4>,2|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4740	0.000	1	109.4740	0.000	1	109.4740	0.000	1	109.5256	0.067	48	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(H)3	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6a]C[5,6a]C[6,6a])(H)3	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	H(CC[5,6]HH)	109.4710	0.028	14	109.4710	0.001	14	109.4710	0.001	14	109.5256	0.067	48	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3){2|C<3>,3|C<4>}	H(CC[5,6]HH)	109.4765	0.012	2	109.4765	0.000	2	109.8450	0.383	7	109.5256	0.067	48	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	H(CC[5,6]HH)	110.3210	0.743	3	110.3210	0.552	3	109.8450	0.383	7	109.5256	0.067	48	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3){1|C<4>,1|W<6>,2|C<3>,2|H<1>}	H(CC[5,6]HH)	109.4995	0.030	2	109.4995	0.001	2	109.8450	0.383	7	109.5256	0.067	48	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,4|C<3>}	H(CC[5,6]HH)	109.4617	0.030	10	109.4617	0.001	10	109.4617	0.001	10	109.5256	0.067	48	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,6a]C[5a,6]N[5,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5a,6]N[5,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4637	0.021	3	109.4637	0.000	3	109.4637	0.000	3	109.5256	0.067	48	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[6,6a]N[5,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4913	0.017	3	109.4913	0.000	3	109.4913	0.000	3	109.5256	0.067	48	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6a]N[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]N[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(CC[5,6]HH)	109.4860	0.042	2	109.4860	0.002	2	109.4830	0.001	5	109.5256	0.067	48	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6a]N[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]O[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]N[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]O[6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CC[5,6]HH)	109.4810	0.027	3	109.4810	0.001	3	109.4830	0.001	5	109.5256	0.067	48	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5,6]C[5a,6]C[5,6]C[5])(H)3	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[6]N[5])(C[5]N[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5a,6]C[5,6]C[5])(H)3	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[6]N[5])(C[5]N[5]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4643	0.073	3	109.4643	0.005	3	109.4643	0.005	3	109.5256	0.067	48	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:N[5,6]-3:S[5]-3:C-4:	C-4:	C(C[5,6]C[6,6a]N[5,6]S[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(S[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]N[5,6]S[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(S[5]C[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4785	0.036	2	109.4785	0.001	2	109.4785	0.001	2	109.5256	0.067	48	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[5,5a]C[6,6a]C[5,6])(H)3	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5a]C[6,6a]C[5,6])(H)3	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(CH3){1|O<2>,4|C<3>,6|H<1>}	H(CC[5,6]HH)	109.4717	0.016	3	109.4717	0.000	3	109.4717	0.000	3	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6a]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4617	0.025	3	109.4617	0.001	3	109.4617	0.001	3	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5,6,6]C)(C[5]C[5,5,6]O)(C[6]C[6,6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5,6,6]C)(C[5]C[5,5,6]O)(C[6]C[6,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>}	H(CC[5,6]HH)	109.4550	0.011	2	109.4550	0.000	2	109.4668	0.002	5	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CC[5,6]HH)	109.4747	0.055	3	109.4747	0.003	3	109.4668	0.002	5	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:N[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]N[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]N[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3){1|C<4>,1|O<1>,5|C<3>}	H(CC[5,6]HH)	109.4767	0.033	3	109.4690	0.001	5	109.4690	0.001	5	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:N[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]N[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]N[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3){1|H<1>,1|O<1>,5|C<3>}	H(CC[5,6]HH)	109.4575	0.029	2	109.4690	0.001	5	109.4690	0.001	5	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:N[6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3){2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4400	0.016	3	109.4400	0.000	3	109.4400	0.000	3	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]2)(H)3	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]2)(H)3	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(CH3){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	H(CC[5,6]HH)	109.4927	0.021	3	109.4927	0.000	3	109.4927	0.000	3	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,5|C<3>}	H(CC[5,6]HH)	109.4854	0.048	14	109.4854	0.002	14	109.4763	0.005	33	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4705	0.103	12	109.4705	0.011	12	109.4763	0.005	33	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4405	0.005	2	109.4518	0.000	4	109.4763	0.005	33	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){4|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4630	0.007	2	109.4518	0.000	4	109.4763	0.005	33	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4900	0.041	3	109.4900	0.002	3	109.4763	0.005	33	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5a,6]-3:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5a,6]C[5,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]N[5]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5a,6]C[5,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]N[5]H)(CH3){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(CC[5,6]HH)	109.4840	0.006	2	109.4840	0.000	2	109.4840	0.000	2	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6,6]-3:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(CC[5,6]HH)	109.4403	0.029	6	109.4403	0.001	6	109.4403	0.001	6	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]O)(CH3){1|N<2>,2|H<1>,5|C<3>}	H(CC[5,6]HH)	109.4607	0.017	3	109.4607	0.000	3	109.4607	0.000	3	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]N[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]N[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4870	0.044	5	109.4870	0.002	5	109.4870	0.002	5	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[3]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[3]O[5]O)(CH3){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4993	0.049	3	109.4993	0.002	3	109.5147	0.062	34	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.6736	0.512	5	109.5716	0.128	10	109.5147	0.062	34	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4760	0.019	3	109.5716	0.128	10	109.5147	0.062	34	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,3|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4600	0.014	2	109.5716	0.128	10	109.5147	0.062	34	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4785	0.034	6	109.4785	0.001	6	109.5147	0.062	34	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[6]S[5])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[6]S[5])(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(CC[5,6]HH)	109.5277	0.406	6	109.5277	0.165	6	109.5147	0.062	34	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5a,6]N[5,6]C[5])(H)3	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){4|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4721	0.028	9	109.4721	0.001	9	109.5147	0.062	34	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[6,6a]N[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]N[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4784	0.024	7	109.4784	0.001	7	109.4784	0.001	7	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	108.8010	1.309	3	108.8010	1.713	3	108.8010	1.713	3	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:N[5]-3:C[6]-4:C-4:	C-4:	C(C[5,6]N[5,6]C[6]N[5])(H)3	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[6]N[5])(H)3	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5,6]HH)	109.4897	0.018	3	109.4897	0.000	3	109.4897	0.000	3	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:N[6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]N[5,6]C[5]N[6])(H)3	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]N[6])(H)3	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(CH3){1|O<1>,2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4557	0.056	3	109.4557	0.003	3	109.4554	0.001	8	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:N[6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]N[5,6]C[5]N[6])(H)3	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]N[6])(H)3	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4755	0.028	2	109.4755	0.001	2	109.4554	0.001	8	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:N[6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]N[5,6]C[5]N[6])(H)3	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6,6a]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]N[6])(H)3	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6,6a]C)(C[5]C[5]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4417	0.011	3	109.4417	0.000	3	109.4554	0.001	8	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]N[5a,6]N[5,6]C[5])(H)3	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5a,6]N[5,6]C[5])(H)3	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	H(CC[5,6]HH)	109.4827	0.012	3	109.4827	0.000	3	109.4827	0.000	3	109.4669	0.055	129	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]2O[5])(H)3	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]C)(O[5]C[5,6a])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2O[5])(H)3	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]C)(O[5]C[5,6a])(CH3){6|C<3>}	H(CC[5,6]HH)	109.4657	0.060	8	109.4657	0.004	8	109.4657	0.004	8	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-4:S[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CH3){1|C<4>,5|C<3>}	H(CC[5,6]HH)	109.4926	0.040	8	109.4926	0.002	8	109.4926	0.002	8	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CH3){2|C<4>,2|O<2>,4|H<1>}	H(CC[5,6]HH)	109.4577	0.017	3	109.4577	0.000	3	109.4612	0.000	6	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3){1|O<2>,2|C<3>,2|O<1>}	H(CC[5,6]HH)	109.4647	0.024	3	109.4647	0.001	3	109.4612	0.000	6	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[4,5,6]O)(C[6]C[6]HH)(O[5]C[4,5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[4,5,6]O)(C[6]C[6]HH)(O[5]C[4,5])(CH3){3|C<4>,3|H<1>}	H(CC[5,6]HH)	110.6290	1.367	3	110.6290	1.870	3	109.8632	0.799	9	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(CH3){2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4593	0.030	3	109.4593	0.001	3	109.8632	0.799	9	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5a,6]N[5])(C[6]C[6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5a,6]N[5])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	H(CC[5,6]HH)	109.5013	0.054	3	109.5013	0.003	3	109.8632	0.799	9	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(O[6]C[6,6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(O[6]C[6,6])(CH3){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4670	0.054	9	109.4670	0.003	9	109.4684	0.002	11	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(O[6]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(O[6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4745	0.005	2	109.4745	0.000	2	109.4684	0.002	11	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5a,6]C[5,6]O[5])(H)3	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5a,6]C[5,6]O[5])(H)3	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(CH3){1|C<4>,4|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4437	0.019	3	109.4437	0.000	3	109.4510	0.000	4	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5a,6]C[5,6]O[5])(H)3	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5a,6]C[5,6]O[5])(H)3	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<4>,1|O<1>,2|C<3>,2|F<1>,2|H<1>}	H(CC[5,6]HH)	109.4730	0.000	1	109.4730	0.000	1	109.4510	0.000	4	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]O[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]O[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	H(CC[5,6]HH)	110.6043	2.496	3	110.6043	6.232	3	110.6043	6.232	3	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]N[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]C[5,6]N[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5])(CH3){1|O<2>,4|C<3>,4|H<1>}	H(CC[5,6]HH)	111.0463	2.101	3	111.0463	4.413	3	109.9958	1.725	9	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-2:C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]N[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(N[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]C[5,6]N[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[5,6]HH)	109.4705	0.042	6	109.4705	0.002	6	109.9958	1.725	9	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CC)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CC)(O[5]C[5])(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5,6]HH)	108.5457	1.276	3	108.5457	1.629	3	109.2303	0.467	12	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O[5]C[5])(CH3){1|N<3>,3|C<3>,6|H<1>}	H(CC[5,6]HH)	109.4360	0.055	2	109.4360	0.003	2	109.2303	0.467	12	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(O[5]C[5,6a])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(O[5]C[5,6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	H(CC[5,6]HH)	109.4533	0.026	3	109.4533	0.001	3	109.2303	0.467	12	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	109.4737	0.024	4	109.4737	0.001	4	109.2303	0.467	12	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,5]-3:C[5,6]-4:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6]N[5,5]O[6])(H)3	C[5,6](N[5,5]C[5,5,6]C[5])(C[5,6]C[5,6,6]HH)(O[6]C[6,6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]N[5,5]O[6])(H)3	C[5,6](N[5,5]C[5,5,6]C[5])(C[5,6]C[5,6,6]HH)(O[6]C[6,6])(CH3){1|C<3>,3|H<1>,5|C<4>}	H(CC[5,6]HH)	109.5320	0.043	5	109.5320	0.002	5	109.5320	0.002	5	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:O[6]-2:C-4:	C-4:	C(C[5,6]N[5,6]C[5]O[6])(H)3	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]O[6])(H)3	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CH3){2|H<1>,4|C<3>}	H(CC[5,6]HH)	109.4958	0.057	6	109.4958	0.003	6	109.4867	0.002	12	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:O[6]-2:C-4:	C-4:	C(C[5,6]N[5,6]C[5]O[6])(H)3	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]O[6])(H)3	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6])(CH3){1|C<4>,2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4673	0.040	3	109.4673	0.002	3	109.4867	0.002	12	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:O[6]-2:C-4:	C-4:	C(C[5,6]N[5,6]C[5]O[6])(H)3	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]O[6])(H)3	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3){2|C<3>,2|H<1>,2|O<1>}	H(CC[5,6]HH)	109.4877	0.012	3	109.4877	0.000	3	109.4867	0.002	12	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]N[5,6]C[6]O[5])(H)3	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[6]O[5])(H)3	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|O<1>}	H(CC[5,6]HH)	109.4693	0.036	3	109.4693	0.001	3	109.4669	0.001	8	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]N[5,6]C[6]O[5])(H)3	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[6]O[5])(H)3	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(CC[5,6]HH)	109.4417	0.023	3	109.4654	0.002	5	109.4669	0.001	8	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]N[5,6]C[6]O[5])(H)3	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[6]O[5])(H)3	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(CC[5,6]HH)	109.5010	0.047	2	109.4654	0.002	5	109.4669	0.001	8	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[6,6]-3:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]N[6,6]O[5])(H)3	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]N[6,6]O[5])(H)3	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){2|C<3>,2|C<4>,8|H<1>}	H(CC[5,6]HH)	109.4793	0.018	3	109.4793	0.000	3	109.4793	0.000	3	109.5650	0.469	98	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4910	0.013	2	109.4910	0.000	2	109.4762	0.001	5	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4663	0.040	3	109.4663	0.002	3	109.4762	0.001	5	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5]-4:N[6]-3:C-4:	C-4:	C(C[5,6]C[5,6,6a]C[5]N[6])(H)3	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6a]C[5]N[6])(H)3	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(CC[5,6]HH)	109.4638	0.023	6	109.4638	0.001	6	109.8965	0.782	12	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5]-4:N[6]-3:C-4:	C-4:	C(C[5,6]C[5,6,6a]C[5]N[6])(H)3	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6a]C[5]N[6])(H)3	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(CC[5,6]HH)	110.3292	1.127	6	110.3292	1.271	6	109.8965	0.782	12	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]C[5,6a]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]C[5,6a]O)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4450	0.015	3	109.4450	0.000	3	109.4450	0.000	3	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3){1|O<1>,4|C<3>}	H(CC[5,6]HH)	109.4745	0.029	2	109.4745	0.001	2	109.4702	0.001	39	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]2H)(C[6]C[6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]2H)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(CC[5,6]HH)	109.4660	0.036	3	109.4660	0.001	3	109.4702	0.001	39	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(CH3){1|C<4>,2|H<1>,4|C<3>}	H(CC[5,6]HH)	109.4787	0.023	3	109.4787	0.001	3	109.4702	0.001	39	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	H(CC[5,6]HH)	109.4750	0.013	2	109.4685	0.000	11	109.4702	0.001	39	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|C<4>,5|C<3>}	H(CC[5,6]HH)	109.4586	0.018	5	109.4685	0.000	11	109.4702	0.001	39	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|S<4>,2|C<4>,3|C<3>}	H(CC[5,6]HH)	109.4875	0.026	2	109.4685	0.000	11	109.4702	0.001	39	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|S<4>,5|C<3>}	H(CC[5,6]HH)	109.4680	0.013	2	109.4685	0.000	11	109.4702	0.001	39	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|F<1>,1|S<4>,4|C<3>}	H(CC[5,6]HH)	109.4500	0.031	5	109.4702	0.001	8	109.4702	0.001	39	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|S<4>,2|C<4>,3|C<3>}	H(CC[5,6]HH)	109.5040	0.014	3	109.4702	0.001	8	109.4702	0.001	39	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5])(C[5]S[5]HH)(C[6]N[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5])(C[5]S[5]HH)(C[6]N[6]O)(CH3){1|C<4>,3|C<3>}	H(CC[5,6]HH)	109.4667	0.017	3	109.4667	0.000	3	109.4702	0.001	39	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CC[5,6]HH)	109.4650	0.037	6	109.4709	0.001	9	109.4702	0.001	39	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3){2|C<3>,3|C<4>}	H(CC[5,6]HH)	109.4827	0.021	3	109.4709	0.001	9	109.4702	0.001	39	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(CC[5,6]HH)	109.4523	0.018	3	109.7093	0.688	7	109.4470	0.355	41	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[5,6]HH)	109.4650	0.000	1	109.7093	0.688	7	109.4470	0.355	41	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	H(CC[5,6]HH)	110.0477	1.328	3	109.7093	0.688	7	109.4470	0.355	41	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[5]N[5,6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[5]N[5,6]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4910	0.016	2	109.4910	0.000	2	109.4470	0.355	41	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4587	0.031	3	109.3377	0.492	20	109.4470	0.355	41	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	H(CC[5,6]HH)	109.3164	0.762	17	109.3377	0.492	20	109.4470	0.355	41	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)(CH3){2|H<1>,5|C<4>}	H(CC[5,6]HH)	109.4624	0.046	9	109.4624	0.002	9	109.4470	0.355	41	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CH3){2|H<1>,4|C<3>}	H(CC[5,6]HH)	109.4887	0.013	3	109.4887	0.000	3	109.4470	0.355	41	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[4,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,6a]C[4,6]C[5,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]2H)(C[5,6]C[6]N[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[4,6]C[5,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]2H)(C[5,6]C[6]N[5])(CH3){3|C<3>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4851	0.041	8	109.4851	0.002	8	109.4851	0.002	8	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]2)(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5,6]C[5,6]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]2)(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5,6]C[5,6]C[5])(CH3){1|C<4>,1|O<2>,2|H<1>,2|N<3>,4|C<3>}	H(CC[5,6]HH)	109.4633	0.033	3	109.4633	0.001	3	109.4633	0.001	3	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	H(CC[5,6]HH)	109.4957	0.024	3	109.4957	0.001	3	109.4957	0.001	3	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]N[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]N[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(CC[5,6]HH)	109.4523	0.028	3	109.4523	0.001	3	109.4570	0.001	4	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]N[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(N[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]N[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(CC[5,6]HH)	109.4710	0.000	1	109.4710	0.000	1	109.4570	0.001	4	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(CH3){3|C<3>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4730	0.000	1	109.4730	0.000	1	109.4730	0.000	1	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[4,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[4,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3){1|O<2>,4|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4820	0.048	3	109.4820	0.002	3	109.4614	0.001	10	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]O[5]O)(CH3){1|O<2>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	109.4525	0.019	2	109.4525	0.000	2	109.4614	0.001	10	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4450	0.018	3	109.4450	0.000	3	109.4614	0.001	10	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3){1|N<2>,3|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4640	0.024	2	109.4640	0.001	2	109.4614	0.001	10	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]N[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4733	0.028	3	109.4733	0.001	3	109.4728	0.001	16	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){1|Cl<1>,1|C<4>,2|C<3>,6|H<1>}	H(CC[5,6]HH)	109.4557	0.035	3	109.4660	0.001	6	109.4728	0.001	16	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){1|O<2>,4|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4763	0.026	3	109.4660	0.001	6	109.4728	0.001	16	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3){1|N<3>,3|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4580	0.047	2	109.4580	0.002	2	109.4728	0.001	16	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(CH3){1|S<4>,2|C<3>,2|H<1>}	H(CC[5,6]HH)	109.4864	0.052	5	109.4864	0.003	5	109.4728	0.001	16	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]N[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]C[5,6]N[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(CH3){2|H<1>,5|C<3>}	H(CC[5,6]HH)	109.4607	0.030	3	109.4607	0.001	3	109.4607	0.001	3	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	C-4:	C(C[5,6]C[6,6a]N[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]N[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]N[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]N[6])(CH3){2|H<1>,6|C<3>}	H(CC[5,6]HH)	109.5250	0.322	3	109.5250	0.104	3	109.5250	0.104	3	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CH3){1|C<3>,4|H<1>}	H(CC[5,6]HH)	109.9813	1.319	3	109.9813	1.741	3	109.7130	0.784	6	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]O[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]O[6]O)(CH3){1|S<4>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4447	0.059	3	109.4447	0.003	3	109.7130	0.784	6	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:C-4:	C-4:	C(C[5,6]N[5,6]C[5]N[6])(H)3	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]N[6])(H)3	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|C<4>,1|O<1>,6|H<1>}	H(CC[5,6]HH)	109.4828	0.023	5	109.4828	0.001	5	109.4805	0.000	10	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:C-4:	C-4:	C(C[5,6]N[5,6]C[5]N[6])(H)3	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]N[6])(H)3	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CH3){1|O<1>,2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4782	0.017	5	109.4782	0.000	5	109.4805	0.000	10	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:N[5]-3:C-4:	C-4:	C(C[5,6]N[5,6]C[6]N[5])(H)3	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[6]N[5])(H)3	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H)(CH3){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4507	0.020	3	109.4507	0.000	3	109.4507	0.000	3	109.5045	0.174	170	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:Cl-1:Cl-1:H-1:	C[5,5,6]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C[6])(Cl)2(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H)	H(CC[5,6]Cl2)	C(C[5,6]C[5,5,6]C[5,6]C[6])(Cl)2(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H){4|C<4>,7|H<1>}	H(CC[5,6]Cl2)	111.7655	1.350	2	111.7655	1.822	2	111.7655	1.822	2	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:Cl-1:Cl-1:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(Cl)2(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H)	H(CC[5,6]Cl2)	C(C[5,6]C[5,6]2C[6])(Cl)2(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H){3|C<4>,8|H<1>}	H(CC[5,6]Cl2)	111.7810	0.000	1	111.7810	0.000	1	111.7810	0.000	1	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,6](C[5,5a]C[5,5a]C[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,6](C[5,5a]C[5,5a]C[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|N<2>,1|N<3>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.5167	0.032	3	109.5167	0.001	3	109.4743	0.003	28	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,6](C[5,5a]C[5,5a]N[5,5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,6](C[5,5a]C[5,5a]N[5,5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4817	0.027	6	109.4817	0.001	6	109.4743	0.003	28	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4610	0.020	2	109.4653	0.003	19	109.4743	0.003	28	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|N<2>,1|N<3>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4769	0.035	8	109.4653	0.003	19	109.4743	0.003	28	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|Si<4>,2|C<3>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4327	0.083	6	109.4653	0.003	19	109.4743	0.003	28	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5a]C[5,6]C[6])(H)3	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.5027	0.016	3	109.4653	0.003	19	109.4743	0.003	28	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(CC[5,6]HH)	109.4407	0.051	3	109.4683	0.001	29	109.4700	0.001	31	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	H(CC[5,6]HH)	109.4780	0.049	3	109.4683	0.001	29	109.4700	0.001	31	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	H(CC[5,6]HH)	109.4690	0.029	17	109.4683	0.001	29	109.4700	0.001	31	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	C[5,6](C[5,5a]C[5,5a]N[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<4>,3|C<3>,8|H<1>}	H(CC[5,6]HH)	109.4753	0.047	6	109.4683	0.001	29	109.4700	0.001	31	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5a]-3:C[6,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5a]C[5,6]C[6,6])(H)3	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	H(CC[5,6]HH)	109.4945	0.030	2	109.4945	0.001	2	109.4700	0.001	31	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[3,5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[3,5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[3,5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4397	0.061	3	109.4695	0.003	6	109.4695	0.003	6	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[3,5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[3,5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[3,5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4993	0.048	3	109.4695	0.003	6	109.4695	0.003	6	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>}	H(CC[5,6]HH)	109.4567	0.071	6	109.4567	0.005	6	109.4767	0.003	20	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HO)(CH3){1|O<2>,5|C<4>}	H(CC[5,6]HH)	109.4553	0.031	3	109.4553	0.001	3	109.4767	0.003	20	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4965	0.008	2	109.4965	0.000	2	109.4767	0.003	20	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	109.4783	0.012	3	109.4783	0.000	3	109.4767	0.003	20	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HO)(CH3){2|H<1>,4|C<4>}	H(CC[5,6]HH)	109.5343	0.025	3	109.5343	0.001	3	109.4767	0.003	20	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	109.4660	0.046	3	109.4660	0.002	3	109.4767	0.003	20	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6a]C[5]C[6])(H)3	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6a]C[5]C[6])(H)3	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4930	0.249	3	109.4619	0.017	9	109.4619	0.017	9	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6a]C[5]C[6])(H)3	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6a]C[5]C[6])(H)3	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,3|C<3>}	H(CC[5,6]HH)	109.4463	0.036	6	109.4619	0.017	9	109.4619	0.017	9	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(CH3){1|H<1>,1|O<2>,4|C<4>}	H(CC[5,6]HH)	109.4727	0.021	3	109.4727	0.000	3	109.3956	1.197	9	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	109.7383	1.644	3	109.7383	2.704	3	109.3956	1.197	9	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HO)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	108.9757	1.278	3	108.9757	1.634	3	109.3956	1.197	9	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4708	0.049	5	109.4642	0.002	8	109.4642	0.002	8	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4533	0.030	3	109.4642	0.002	8	109.4642	0.002	8	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	113.5923	8.369	3	111.0235	24.537	8	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(CC[5,6]HH)	109.4822	0.034	5	111.0235	24.537	8	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(CC[5,6]HH)	109.4700	0.045	2	109.4700	0.002	2	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4484	0.025	5	109.4484	0.001	5	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	H(CC[5,6]HH)	109.4365	0.021	2	109.4365	0.000	2	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4750	0.000	1	109.4750	0.000	1	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]CH)(CH3){2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4737	0.014	3	109.4737	0.000	3	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4497	0.035	3	109.3070	0.378	6	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.1643	0.939	3	109.3070	0.378	6	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4672	0.030	5	109.4672	0.001	5	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4693	0.037	3	109.4693	0.001	3	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CO)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4700	0.017	2	109.4700	0.000	2	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4748	0.035	5	109.4743	0.001	13	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(CC[5,6]HH)	109.4842	0.027	5	109.4743	0.001	13	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4570	0.020	3	109.4743	0.001	13	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4670	0.013	3	109.4677	0.001	6	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3){1|S<4>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4683	0.043	3	109.4677	0.001	6	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4730	0.000	1	109.4730	0.000	1	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(CC[5,6]HH)	109.4785	0.013	2	109.3866	0.902	25	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(CC[5,6]HH)	109.2968	1.397	12	109.3866	0.902	25	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4645	0.019	2	109.3866	0.902	25	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4610	0.025	5	109.3866	0.902	25	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4780	0.008	2	109.3866	0.902	25	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4785	0.005	2	109.3866	0.902	25	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.5063	0.014	3	109.5063	0.000	3	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4907	0.035	3	109.4907	0.001	3	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6,6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4503	0.019	3	109.4503	0.000	3	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4885	0.045	2	109.4767	0.002	13	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4745	0.052	11	109.4767	0.002	13	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4616	0.041	5	109.4616	0.002	5	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4387	0.028	3	109.4387	0.001	3	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	H(CC[5,6]HH)	109.4800	0.028	3	109.4800	0.001	3	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(CC[5,6]HH)	109.4733	0.025	3	109.4733	0.001	3	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]CH)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(CC[5,6]HH)	109.4640	0.030	3	109.4640	0.001	3	109.5470	1.786	121	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(CC[5,6]HH)	109.4720	0.007	2	109.4720	0.000	2	109.4708	0.001	9	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]N[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]N[5]HH)(CH3){1|S<4>,2|H<1>,4|C<4>}	H(CC[5,6]HH)	109.4702	0.038	6	109.4702	0.001	6	109.4708	0.001	9	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(CC[5,6]HH)	109.4720	0.000	1	109.4720	0.000	1	109.4708	0.001	9	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4798	0.029	5	109.4798	0.001	5	109.5664	1.192	50	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[5,6]HH)	110.9547	5.103	3	110.9547	26.042	3	109.5664	1.192	50	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4925	0.005	2	109.4667	0.001	7	109.5664	1.192	50	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4770	0.014	2	109.4667	0.001	7	109.5664	1.192	50	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4427	0.014	3	109.4667	0.001	7	109.5664	1.192	50	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(CC[5,6]HH)	109.4737	0.011	3	109.4737	0.000	3	109.5664	1.192	50	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4610	0.018	3	109.4610	0.000	3	109.5664	1.192	50	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(CH3){2|C<3>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.5113	0.019	3	109.5113	0.000	3	109.5664	1.192	50	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]CH)(CH3){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4777	0.017	3	109.4777	0.000	3	109.5664	1.192	50	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]ClH)(CH3){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.5003	0.028	3	109.5003	0.001	3	109.5664	1.192	50	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]HO)(CH3){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4913	0.033	3	109.4913	0.001	3	109.5664	1.192	50	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4506	0.024	5	109.4506	0.001	5	109.5664	1.192	50	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(CC[5,6]HH)	109.4913	0.025	3	109.4913	0.001	3	109.5664	1.192	50	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4935	0.168	6	109.4935	0.028	6	109.5664	1.192	50	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4513	0.042	3	109.4513	0.002	3	109.5664	1.192	50	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3){1|Cl<1>,1|H<1>,4|C<3>,4|C<4>}	H(CC[5,6]HH)	109.4520	0.043	3	109.4482	0.001	5	109.4482	0.001	5	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(CH3){2|H<1>,4|C<3>,4|C<4>}	H(CC[5,6]HH)	109.4425	0.019	2	109.4482	0.001	5	109.4482	0.001	5	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5a,6]C[5,6]C[5])(H)3	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5a,6]C[5,6]C[5])(H)3	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	H(CC[5,6]HH)	109.5022	0.064	6	109.5022	0.004	6	109.5022	0.004	6	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-4:S[5]-4:C-4:	C-4:	C(C[5,6]C[5a,6]C[5,6]S[5])(H)3	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(S[5]C[5]OO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5a,6]C[5,6]S[5])(H)3	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(S[5]C[5]OO)(CH3){1|H<1>,1|S<2>,2|C<3>,3|C<4>}	H(CC[5,6]HH)	109.4625	0.021	2	109.4625	0.000	2	109.4625	0.000	2	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CH3){2|O<2>,4|H<1>,5|C<4>}	H(CC[5,6]HH)	109.4563	0.019	3	109.4563	0.000	3	109.4678	0.005	89	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,4|H<1>,5|C<4>}	H(CC[5,6]HH)	109.4675	0.018	2	109.4675	0.000	2	109.4678	0.005	89	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4917	0.087	3	109.4679	0.005	83	109.4678	0.005	89	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4928	0.029	4	109.4679	0.005	83	109.4678	0.005	89	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4707	0.018	6	109.4679	0.005	83	109.4678	0.005	89	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4582	0.033	6	109.4679	0.005	83	109.4678	0.005	89	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4903	0.017	3	109.4679	0.005	83	109.4678	0.005	89	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4703	0.034	12	109.4679	0.005	83	109.4678	0.005	89	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4633	0.089	49	109.4679	0.005	83	109.4678	0.005	89	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4930	0.000	1	109.4930	0.000	1	109.4678	0.005	89	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4405	0.018	2	109.4405	0.000	2	109.4698	0.002	5	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[6]H)(CH3){1|Cl<1>,2|C<3>,3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4893	0.039	3	109.4893	0.001	3	109.4698	0.002	5	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.1223	3.308	3	109.1223	10.942	3	109.3658	1.187	26	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4052	0.721	15	109.4052	0.520	15	109.3658	1.187	26	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4637	0.113	3	109.4637	0.013	3	109.3658	1.187	26	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN)(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN)(CH3){2|C<3>,6|H<1>}	H(CC[5,6]HH)	109.4705	0.046	2	109.4705	0.002	2	109.3658	1.187	26	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.2450	0.295	3	109.2450	0.087	3	109.3658	1.187	26	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4580	0.021	2	109.4580	0.000	2	109.4580	0.000	2	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	3:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]N[5a,6]C[5,6]C[5])(H)3	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]CC)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]N[5a,6]C[5,6]C[5])(H)3	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]CC)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4662	0.040	6	109.4662	0.002	6	109.4662	0.002	6	109.5105	0.763	435	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5]-2:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,5,6]O[5]O[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]O[5]O[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(CC[5,6]HH)	109.4677	0.120	3	109.4677	0.014	3	109.4677	0.014	3	109.2736	0.795	33	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[6]-2:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,5,6]O[5]O[6])(H)3	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(O[6]C[6,6])(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]O[5]O[6])(H)3	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(O[6]C[6,6])(O[5]C[5])(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(CC[5,6]HH)	109.4690	0.012	3	109.4690	0.000	3	109.4690	0.000	3	109.2736	0.795	33	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6]O[5]O[6])(H)3	C[5,6](C[5,6]C[5,6]CH)(O[5]C[5])(O[6]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]O[5]O[6])(H)3	C[5,6](C[5,6]C[5,6]CH)(O[5]C[5])(O[6]C[6])(CH3){1|C<2>,1|H<1>,1|N<2>,2|C<4>}	H(CC[5,6]HH)	107.3070	2.513	3	107.3070	6.313	3	108.1654	4.538	5	109.2736	0.795	33	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6]O[5]O[6])(H)3	C[5,6](C[5,6]C[5,6]CO)(O[5]C[5])(O[6]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]O[5]O[6])(H)3	C[5,6](C[5,6]C[5,6]CO)(O[5]C[5])(O[6]C[6])(CH3){2|H<1>,4|C<4>}	H(CC[5,6]HH)	109.4530	0.028	2	109.4530	0.001	2	108.1654	4.538	5	109.2736	0.795	33	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]O[5]O[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]O[5]O[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5])(CH3){2|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4756	0.033	8	109.4756	0.001	8	109.4719	0.001	16	109.2736	0.795	33	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]O[5]O[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]O[5]O[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3){1|C<4>,2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4813	0.018	3	109.4708	0.000	5	109.4719	0.001	16	109.2736	0.795	33	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]O[5]O[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]O[5]O[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3){3|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4550	0.016	2	109.4708	0.000	5	109.4719	0.001	16	109.2736	0.795	33	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]O[5]O[6])(H)3	C[5,6](C[5,6]C[6]N[5]C)(O[6]C[6,6a])(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]O[5]O[6])(H)3	C[5,6](C[5,6]C[6]N[5]C)(O[6]C[6,6a])(O[5]C[5])(CH3){2|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4637	0.025	3	109.4637	0.001	3	109.4719	0.001	16	109.2736	0.795	33	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5]-4:O[5,6]-2:O[6]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[5]O[6])(H)3	C[5,6](C[5]C[5a]N[5]H)(O[5,6]C[5,6])(O[6]C[6,6a])(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]O[6])(H)3	C[5,6](C[5]C[5a]N[5]H)(O[5,6]C[5,6])(O[6]C[6,6a])(CH3){1|H<1>,1|S<4>,4|C<3>}	H(CC[5,6]HH)	109.4760	0.025	3	109.4760	0.001	3	109.4760	0.001	3	109.2736	0.795	33	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6]-4:O[5,6]-2:O[5]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(O[5]O[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[6]O[5])(H)3	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(O[5]O[5])(CH3){2|C<3>,2|C<4>}	H(CC[5,6]HH)	109.4713	0.028	3	109.4713	0.001	3	109.4713	0.001	3	109.2736	0.795	33	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4833	0.020	3	109.4833	0.000	3	109.4833	0.000	3	109.4747	0.001	25	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(CC[5,6]HH)	109.4917	0.036	3	109.4917	0.001	3	109.4823	0.001	11	109.4747	0.001	25	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4915	0.027	6	109.4915	0.001	6	109.4823	0.001	11	109.4747	0.001	25	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]N[5,5]C[6]H)(O[5]C[5,5])(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]N[5,5]C[6]H)(O[5]C[5,5])(C[6]C[6]H)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4405	0.025	2	109.4405	0.001	2	109.4823	0.001	11	109.4747	0.001	25	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[6]-2:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(O[6]C[6,6a])(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(O[6]C[6,6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|O<1>}	H(CC[5,6]HH)	109.4490	0.014	3	109.4490	0.000	3	109.4490	0.000	3	109.4747	0.001	25	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:O[5,6]-2:C[5]-3:C-4:	C-4:	C(C[5,6]C[6,6]O[5,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6]O[5,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(CH3){1|O<1>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4665	0.028	6	109.4665	0.001	6	109.4665	0.001	6	109.4747	0.001	25	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-3:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4835	0.039	2	109.4835	0.002	2	109.4835	0.002	2	109.4747	0.001	25	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:1:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]O[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(CH3)(H)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]O[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5,6]HH)	109.4553	0.031	3	109.4553	0.001	3	109.4553	0.001	3	109.4553	0.001	3	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[4,5,6]-4:O[6]-2:C[5]-4:C-4:	C-4:	C(C[5,6]C[4,5,6]C[5]O[6])(H)3	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[4,5,6]C[5]O[6])(H)3	C[5,6](C[4,5,6]C[4,5]C[4,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4735	0.033	15	109.4735	0.001	15	109.4735	0.001	15	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(CCHH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(CCHH)(CH3){1|C<4>,2|O<2>,3|H<1>}	H(CC[5,6]HH)	109.4633	0.036	3	109.4633	0.001	3	109.4692	0.001	13	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,6]C[5,5,6])(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,6]C[5,5,6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4718	0.050	4	109.4718	0.003	4	109.4692	0.001	13	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5,6]C[5,5,6])(CCHH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5,6]C[5,5,6])(CCHH)(CH3){1|O<2>,2|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4615	0.016	2	109.4615	0.000	2	109.4692	0.001	13	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,3x6])(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,3x6])(CH3)2{2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4748	0.014	4	109.4748	0.000	4	109.4692	0.001	13	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[6]-2:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]O[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]O[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4897	0.027	3	109.4897	0.001	3	109.4897	0.001	3	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:S[5,6]-2:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]S[5,6]C)(H)3	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(S[5,6]C[5,5,6])(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]S[5,6]C)(H)3	C[5,6](C[5,5,6]N[5,5,6]C[5,5]H)(S[5,6]C[5,5,6])(CH3)2{1|H<1>,1|O<1>,2|C<4>}	H(CC[5,6]HH)	109.4842	0.032	5	109.4842	0.001	5	109.4842	0.001	5	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:O[6]-2:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]O[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]O[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4753	0.038	6	109.4753	0.001	6	109.4753	0.001	6	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	C[5,6](C[5,6]C[3,5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	C[5,6](C[5,6]C[3,5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4905	0.023	2	109.4905	0.001	2	109.5077	0.138	24	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4740	0.047	3	109.4670	0.001	5	109.5077	0.138	24	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4565	0.009	2	109.4670	0.001	5	109.5077	0.138	24	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]CH)(CH3){4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4870	0.021	2	109.4870	0.000	2	109.5077	0.138	24	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4433	0.024	3	109.5671	0.385	9	109.5077	0.138	24	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.6290	0.776	6	109.5671	0.385	9	109.5077	0.138	24	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HO)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4483	0.149	3	109.4483	0.022	3	109.5077	0.138	24	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4820	0.036	3	109.4820	0.001	3	109.5077	0.138	24	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5,6]-2:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]O[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]O[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4605	0.080	11	109.4605	0.006	11	109.4605	0.006	11	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6a]O[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6a]O[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[5,6]HH)	110.2000	0.889	3	110.2000	0.790	3	110.2000	0.790	3	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[6]-2:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(CC[5,6]HH)	110.2252	0.520	6	110.0396	0.311	8	110.0396	0.311	8	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[6]-2:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(CH3){3|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4830	0.028	2	110.0396	0.311	8	110.0396	0.311	8	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5]-4:O[5,6]-2:C[6]-4:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](C[5]C[3,5]HH)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](C[5]C[3,5]HH)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	109.4797	0.008	3	109.4797	0.000	3	109.4753	0.000	4	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5]-4:O[5,6]-2:C[6]-4:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](C[5]C[4x5,6,6]HH)(O[5,6]C[4x5,3x6])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](C[5]C[4x5,6,6]HH)(O[5,6]C[4x5,3x6])(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	109.4620	0.000	1	109.4620	0.000	1	109.4753	0.000	4	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:O[5,6]-2:C[5]-4:C-4:	C-4:	C(C[5,6]C[6,6]O[5,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[6,6]O[5,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){1|S<2>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4827	1.723	3	109.4827	2.970	3	109.4827	2.970	3	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:2:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4333	0.040	6	109.4333	0.002	6	109.4333	0.002	6	109.5452	0.167	101	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]H)(O[5]C[5])(CH3){1|O<1>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4660	0.021	3	109.4660	0.000	3	109.4517	0.001	6	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4750	0.000	1	109.4750	0.000	1	109.4517	0.001	6	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[6]H)(O[5]N[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[6]H)(O[5]N[5])(CH3){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(CC[5,6]HH)	109.4185	0.015	2	109.4185	0.000	2	109.4517	0.001	6	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[6]-3:O[5,6]-2:C-4:	C-4:	C(C[5,6]C[5,5]O[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]O[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4960	0.055	4	109.4960	0.003	4	109.4960	0.003	4	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(CC[5,6]HH)	109.4597	0.036	3	109.4742	0.001	5	109.4742	0.001	5	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,3|C<3>}	H(CC[5,6]HH)	109.4960	0.033	2	109.4742	0.001	5	109.4742	0.001	5	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]2O[5])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2O[5])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3){1|C<3>,3|H<1>,6|C<4>}	H(CC[5,6]HH)	112.4533	7.585	3	110.5851	18.831	8	110.5851	18.831	8	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]2O[5])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2O[5])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3){1|O<2>,3|H<1>,7|C<4>}	H(CC[5,6]HH)	109.4642	0.034	5	110.5851	18.831	8	110.5851	18.831	8	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CC[5,6]HH)	109.4777	0.031	7	109.4783	0.001	29	109.4783	0.010	35	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|Fe<8>,1|C<4>,1|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4605	0.037	6	109.4783	0.001	29	109.4783	0.010	35	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CC[5,6]HH)	109.4722	0.029	5	109.4783	0.001	29	109.4783	0.010	35	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|Ru<8>,1|C<4>,1|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4973	0.049	6	109.4783	0.001	29	109.4783	0.010	35	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){2|C<4>,4|C<3>}	H(CC[5,6]HH)	109.4840	0.040	5	109.4783	0.001	29	109.4783	0.010	35	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3){1|N<2>,1|S<2>,3|C<3>}	H(CC[5,6]HH)	109.4970	0.284	3	109.4780	0.062	6	109.4783	0.010	35	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3){2|N<2>,3|C<3>}	H(CC[5,6]HH)	109.4590	0.272	3	109.4780	0.062	6	109.4783	0.010	35	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(O[6]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(O[6]C[6])(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4580	0.020	5	109.4580	0.000	5	109.4580	0.000	5	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O[5,6]-2:C-4:	C-4:	C(C[5,6]C[5,6]O[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]O[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4633	0.032	3	109.4633	0.001	3	109.4633	0.001	3	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(CC[5,6]HH)	109.4975	0.032	2	109.4975	0.001	2	109.4747	0.022	78	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|Br<1>,2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.5048	0.024	5	109.4791	0.001	53	109.4747	0.022	78	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(CC[5,6]HH)	109.4769	0.017	8	109.4791	0.001	53	109.4747	0.022	78	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<3>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4810	0.031	3	109.4791	0.001	53	109.4747	0.022	78	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4680	0.028	5	109.4791	0.001	53	109.4747	0.022	78	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|Cl<1>,2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4762	0.039	14	109.4791	0.001	53	109.4747	0.022	78	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4517	0.010	3	109.4791	0.001	53	109.4747	0.022	78	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4793	0.057	3	109.4791	0.001	53	109.4747	0.022	78	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4912	0.028	9	109.4791	0.001	53	109.4747	0.022	78	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4637	0.027	3	109.4791	0.001	53	109.4747	0.022	78	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4557	0.016	3	109.4652	0.001	8	109.4747	0.022	78	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4710	0.028	5	109.4652	0.001	8	109.4747	0.022	78	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]O)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]O)(O[5]C[5])(CH3){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4843	0.020	3	109.4843	0.000	3	109.4747	0.022	78	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CC[5,6]HH)	109.4660	0.021	3	109.4660	0.000	3	109.4747	0.022	78	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6]C)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6]C)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4623	0.034	3	109.4623	0.001	3	109.4747	0.022	78	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4803	0.081	3	109.4465	0.325	6	109.4747	0.022	78	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4127	0.896	3	109.4465	0.325	6	109.4747	0.022	78	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5]-4:C[5,6]-3:N[6]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6])(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(CC[5,6]HH)	109.4670	0.026	5	109.4670	0.001	5	109.4670	0.001	5	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5]-4:C[6]-3:O[5,6]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	H(CC[5,6]HH)	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|O<2>,3|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4745	0.012	2	109.4745	0.000	2	109.4745	0.000	2	109.5330	0.955	151	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[3x5,6]C[5,6]C[6])(H)3	C[5,6](C[3x5,6]C[3x5,6]2C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3x5,6]C[5,6]C[6])(H)3	C[5,6](C[3x5,6]C[3x5,6]2C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]H)(CH3){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(CC[5,6]HH)	109.4677	0.016	3	109.4677	0.000	3	109.4677	0.000	3	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[6]-3:N[5]-3:C-4:	C-4:	C(C[5,6]C[5,5,6,6]C[6]N[5])(H)3	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6,6]C[6]N[5])(H)3	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4933	0.051	3	109.4933	0.003	3	109.4933	0.003	3	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:N[6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]N[6])(H)3	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]N[6])(H)3	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4740	0.000	1	109.4740	0.000	1	109.3137	0.533	7	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:N[6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]N[6])(H)3	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]N[6])(H)3	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]H)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.2870	0.796	6	109.2870	0.634	6	109.3137	0.533	7	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-3:N[5]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[6]N[5])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[6]N[5])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4737	0.031	3	109.4737	0.001	3	109.4737	0.001	3	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,3|C<3>,3|O<2>}	H(CC[5,6]HH)	109.4560	0.023	3	109.4560	0.001	3	109.4560	0.001	3	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,5]N[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]N[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5,6]HH)	110.8783	2.215	3	110.8783	4.905	3	111.0737	3.754	6	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:N[5,6]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,5]N[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]N[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]N[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]N[6]O)(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(CC[5,6]HH)	111.2690	2.090	3	111.2690	4.367	3	111.0737	3.754	6	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]C)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CC[5,6]HH)	109.4307	0.013	3	109.4307	0.000	3	109.4609	0.001	10	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CC[5,6]HH)	109.4683	0.021	3	109.4683	0.000	3	109.4609	0.001	10	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4850	0.035	2	109.4850	0.001	2	109.4609	0.001	10	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3){3|H<1>,4|C<4>}	H(CC[5,6]HH)	109.4710	0.035	2	109.4710	0.001	2	109.4609	0.001	10	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4863	0.033	3	109.4863	0.001	3	109.4863	0.001	3	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:N[6]-3:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]N[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5]Br)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]N[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5]Br)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(CC[5,6]HH)	109.4777	0.030	3	109.4777	0.001	3	109.4777	0.001	3	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]C)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(CC[5,6]HH)	109.5077	0.022	3	109.5077	0.000	3	109.4956	0.001	11	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3){1|H<1>,4|C<4>}	H(CC[5,6]HH)	109.5130	0.035	4	109.5130	0.001	4	109.4956	0.001	11	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4693	0.027	4	109.4693	0.001	4	109.4956	0.001	11	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	119.2263	4.549	3	113.2341	69.553	6	112.2954	52.702	8	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	107.2418	6.743	3	113.2341	69.553	6	112.2954	52.702	8	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4795	0.028	2	109.4795	0.001	2	112.2954	52.702	8	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]C[5]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]C[5]H)(CH3){2|C<3>,3|H<1>}	H(CC[5,6]HH)	108.7727	1.901	3	108.7727	3.613	3	109.4853	0.545	23	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]O[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]O[5]C)(CH3){3|C<4>}	H(CC[5,6]HH)	109.4757	0.023	3	109.4757	0.001	3	109.4853	0.545	23	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|C<3>,1|N<3>,3|H<1>}	H(CC[5,6]HH)	110.2480	0.784	3	109.6127	0.185	17	109.4853	0.545	23	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|O<1>,2|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4813	0.350	3	109.6127	0.185	17	109.4853	0.545	23	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4715	0.047	2	109.6127	0.185	17	109.4853	0.545	23	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){2|C<3>,6|H<1>}	H(CC[5,6]HH)	109.4761	0.028	9	109.6127	0.185	17	109.4853	0.545	23	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]N[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]N[5]O)(CH3){4|C<3>}	H(CC[5,6]HH)	109.4785	0.045	2	109.4785	0.002	2	109.4785	0.002	2	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5]-4:C[5,6]-3:N[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6]C)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(CC[5,6]HH)	109.4700	0.025	4	109.4700	0.001	4	109.4700	0.001	4	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6]-4:C[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]C[6])(C[5]N[5,6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]C[6])(C[5]N[5,6]O)(CH3){1|C<4>,2|H<1>,5|C<3>}	H(CC[5,6]HH)	109.4613	0.008	3	109.4613	0.000	3	109.4613	0.000	3	109.8153	5.180	92	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:1:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6,6]O)(CH3)(H)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6,6]O)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[5,6]HH)	109.4864	0.066	12	109.4864	0.004	12	109.4864	0.004	12	109.4864	0.004	12	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[6,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3){4|C<4>,8|H<1>}	H(CC[5,6]HH)	109.4800	0.008	2	109.4800	0.000	2	109.4670	0.001	5	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[6,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3){5|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4583	0.036	3	109.4583	0.001	3	109.4670	0.001	5	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4525	0.021	2	109.4525	0.000	2	109.5336	0.006	5	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.5877	0.031	3	109.5877	0.001	3	109.5336	0.006	5	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3x5]-4:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[3x5]C[5,6]C[6])(H)3	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6])(C[6]O[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3x5]C[5,6]C[6])(H)3	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6])(C[6]O[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4745	0.005	2	109.4745	0.000	2	109.4745	0.000	2	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[4,5]-4:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[4,5]C[5,6]C[6])(H)3	C[5,6](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[4,5]C[5,6]C[6])(H)3	C[5,6](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,6|C<3>}	H(CC[5,6]HH)	109.4938	0.061	5	109.4938	0.004	5	109.4938	0.004	5	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)2{1|C<4>,1|O<2>,4|H<1>}	H(CC[5,6]HH)	109.4631	0.039	10	109.4631	0.002	10	109.8954	1.819	42	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.5272	1.653	6	109.5272	2.733	6	109.8954	1.819	42	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CH3)2{1|C<4>,1|O<2>,4|H<1>}	H(CC[5,6]HH)	109.4680	0.029	5	109.4728	0.001	10	109.8954	1.819	42	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CH3)2{2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4776	0.029	5	109.4728	0.001	10	109.8954	1.819	42	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHHO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHHO)(CH3){2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4762	0.036	6	109.4762	0.001	6	109.8954	1.819	42	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]C)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]C)(CH3)2{2|Br<1>,1|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4685	0.037	4	109.4685	0.001	4	109.8954	1.819	42	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]O)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]O)(CH3)2{1|C<4>,1|H<1>}	H(CC[5,6]HH)	112.3923	1.856	6	112.3923	3.444	6	109.8954	1.819	42	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C[5])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C[5])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)(CH3){1|O<1>,3|H<1>,5|C<4>}	H(CC[5,6]HH)	109.4587	0.042	3	109.4587	0.002	3	109.4587	0.002	3	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6a]C[6])(H)3	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6a]C[6])(H)3	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4745	0.030	2	109.4745	0.001	2	109.4745	0.001	2	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[6,6a]C[5])(H)3	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[6,6a]C[5])(H)3	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(CH3){1|C<4>,4|C<3>,7|H<1>}	H(CC[5,6]HH)	109.4723	0.025	3	109.4723	0.001	3	109.4723	0.001	3	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[3,6]O)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[3,6]O)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4750	0.016	3	109.4750	0.000	3	109.4750	0.000	3	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5])(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5])(C[6]C[6]HO)(CH3){1|O<2>,4|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4673	0.023	3	109.4673	0.001	3	109.4673	0.001	3	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:N[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]N[5,6]C[6])(H)3	C[5,6](C[5,5]C[5]2N[5])(N[5,6]C[5]C[6])(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]N[5,6]C[6])(H)3	C[5,6](C[5,5]C[5]2N[5])(N[5,6]C[5]C[6])(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,2|O<1>,7|H<1>}	H(CC[5,6]HH)	109.4920	0.004	2	109.4920	0.000	2	109.4920	0.000	2	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[6,6]C[5])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]CC)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[6,6]C[5])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]CC)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4523	0.022	3	109.4523	0.000	3	109.4523	0.000	3	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]C[5])(C[6]C[6,6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]C[5])(C[6]C[6,6]CH)(CH3){1|O<2>,2|H<1>,6|C<4>}	H(CC[5,6]HH)	109.4634	0.023	7	109.4634	0.001	7	109.4634	0.001	7	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	110.5243	1.335	3	110.5243	1.781	3	110.5243	1.781	3	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4770	0.024	5	109.4770	0.001	5	109.4715	0.907	13	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4780	0.011	2	109.4780	0.000	2	109.4715	0.907	13	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	H(CC[5,6]HH)	109.4207	2.323	3	109.4207	5.395	3	109.4715	0.907	13	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(CC[5,6]HH)	109.5090	0.193	3	109.5090	0.037	3	109.4715	0.907	13	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4557	0.012	3	109.4557	0.000	3	109.4630	0.000	6	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,4|H<1>,5|C<3>}	H(CC[5,6]HH)	109.4670	0.006	2	109.4670	0.000	2	109.4630	0.000	6	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6a]N[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6a]N[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	H(CC[5,6]HH)	109.4770	0.000	1	109.4770	0.000	1	109.4630	0.000	6	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4777	0.035	6	109.4705	0.001	14	109.6038	0.310	55	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4696	0.033	5	109.4705	0.001	14	109.6038	0.310	55	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4577	0.038	3	109.4705	0.001	14	109.6038	0.310	55	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]O)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4910	0.010	3	109.4910	0.000	3	109.6038	0.310	55	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4616	0.017	5	109.4616	0.000	5	109.6038	0.310	55	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4623	0.027	3	109.4623	0.001	3	109.6038	0.310	55	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	H(CC[5,6]HH)	110.1110	0.431	3	110.1110	0.186	3	109.6038	0.310	55	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]O)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]O)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4577	0.045	3	109.4577	0.002	3	109.6038	0.310	55	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.9642	1.158	11	109.9642	1.340	11	109.6038	0.310	55	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4778	0.036	4	109.4778	0.001	4	109.6038	0.310	55	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(CC[5,6]HH)	109.4617	0.022	3	109.4703	0.001	9	109.6038	0.310	55	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,4|C<4>}	H(CC[5,6]HH)	109.4747	0.038	6	109.4703	0.001	9	109.6038	0.310	55	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.5037	0.010	3	109.5037	0.000	3	109.4856	0.001	5	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(CC[5,6]HH)	109.4585	0.018	2	109.4585	0.000	2	109.4856	0.001	5	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5]C[5a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5]C[5a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(CC[5,6]HH)	109.4880	0.010	3	109.4880	0.000	3	109.6790	0.603	28	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[5a,6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[5a,6]HH)(CH3){1|C<4>,1|O<1>,4|C<3>}	H(CC[5,6]HH)	109.4250	0.030	3	109.4250	0.001	3	109.6790	0.603	28	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4758	0.042	19	109.4758	0.002	19	109.6790	0.603	28	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(CC[5,6]HH)	111.4110	1.755	3	111.4110	3.078	3	109.6790	0.603	28	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4703	0.028	3	109.4765	0.001	6	109.4680	0.002	21	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4827	0.046	3	109.4765	0.001	6	109.4680	0.002	21	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4750	0.041	3	109.4750	0.002	3	109.4680	0.002	21	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4680	0.018	3	109.4548	0.003	9	109.4680	0.002	21	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){5|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4482	0.067	6	109.4548	0.003	9	109.4680	0.002	21	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:3:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]O[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]O[5]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4840	0.012	3	109.4840	0.000	3	109.4680	0.002	21	109.6303	0.604	216	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:Cl-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(Cl)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CClHH)	H(CC[5,6]ClH)	C(C[5,6]C[5,6]C[6]O[5])(Cl)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CClHH){1|N<3>,2|C<4>,3|H<1>}	H(CC[5,6]ClH)	110.1900	0.643	2	110.1900	0.414	2	110.1900	0.414	2	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5]-4:O[6]-2:C-4:	C-4:	C(C[5,6]C[3,5,6]C[5]O[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5]C[5]HO)(O[6]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5]O[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5]C[5]HO)(O[6]C[6])(CH3){1|O<2>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4627	0.021	4	109.4627	0.000	4	109.4627	0.000	4	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]O[5,6])(H)3	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6]O[5]2)(O[5,6]C[5,6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]O[5,6])(H)3	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6]O[5]2)(O[5,6]C[5,6])(CH3){4|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4633	0.038	3	109.4633	0.001	3	109.4633	0.001	3	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:O[6]-2:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]O[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]O[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(O[6]C[6,6a])(CH3){1|C<4>,2|C<3>,6|H<1>}	H(CC[5,6]HH)	109.4822	0.051	5	109.4822	0.003	5	109.4822	0.003	5	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[4x5,6,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[4x5,6,6]C[6]O[5])(H)3	C[5,6](C[4x5,6,6]C[3x5,3x6]C[3x5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[4x5,6,6]C[6]O[5])(H)3	C[5,6](C[4x5,6,6]C[3x5,3x6]C[3x5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4710	0.000	1	109.4710	0.000	1	109.4710	0.000	1	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,3x6]C[6]O[5])(H)3	C[5,6](C[5,3x6]C[6,6a]C[3x6]O[5,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,3x6]C[6]O[5])(H)3	C[5,6](C[5,3x6]C[6,6a]C[3x6]O[5,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(CC[5,6]HH)	109.4415	0.008	2	109.4415	0.000	2	109.4415	0.000	2	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,5,6,6]C[5]O[6])(H)3	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O)(C[5]C[5]HH)(O[6]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6,6]C[5]O[6])(H)3	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O)(C[5]C[5]HH)(O[6]C[6])(CH3){1|O<2>,3|H<1>,5|C<4>}	H(CC[5,6]HH)	109.4730	0.006	2	109.4730	0.000	2	109.4730	0.000	2	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]O)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]O)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(OC[6])(CH3){2|H<1>,3|C<4>}	H(CC[5,6]HH)	109.8620	1.194	3	109.8620	1.425	3	109.8620	1.425	3	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]O[5])(H)3	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,6]C[5]2C[6])(O[5]C[5,5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]O[5])(H)3	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,6]C[5]2C[6])(O[5]C[5,5])(CH3){2|C<3>,5|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4620	0.014	3	109.4620	0.000	3	109.4620	0.000	3	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,5,6]C[6,6]O[5])(H)3	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]O[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[6,6]O[5])(H)3	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]O[6]H)(O[5]C[5])(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4633	0.028	3	109.4633	0.001	3	109.4633	0.001	3	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3){2|C<3>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4747	0.025	3	109.4747	0.001	3	109.4704	0.000	8	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(CC[5,6]HH)	109.4650	0.015	3	109.4650	0.000	3	109.4704	0.000	8	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]N[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[5,6]HH)	109.4720	0.007	2	109.4720	0.000	2	109.4704	0.000	8	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]O[6])(H)3	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]N)(O[6]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]O[6])(H)3	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]N)(O[6]C[6])(CH3){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4780	0.017	3	109.4780	0.000	3	109.4780	0.000	3	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]O[5])(H)3	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]O[5])(H)3	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(CH3){1|C<3>,2|H<1>,2|O<2>,6|C<4>}	H(CC[5,6]HH)	109.4596	0.031	5	109.4596	0.001	5	109.4596	0.001	5	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]O[6])(H)3	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]O[6])(H)3	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	H(CC[5,6]HH)	109.4525	0.023	2	109.4525	0.001	2	109.4525	0.001	2	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	C[5,6](C[5,6,6]C[5,6,6]2H)(C[6]C[5,6]CH)(O[5]C[5,6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	C[5,6](C[5,6,6]C[5,6,6]2H)(C[6]C[5,6]CH)(O[5]C[5,6])(CH3){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(CC[5,6]HH)	109.4755	0.042	6	109.4755	0.002	6	109.4725	0.001	11	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3){1|O<2>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4677	0.025	3	109.4677	0.001	3	109.4725	0.001	11	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<1>,4|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4710	0.010	2	109.4710	0.000	2	109.4725	0.001	11	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[3,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[3,6]C[5,6]O[5])(H)3	C[5,6](C[5,6]C[5,6a]C[6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5,6a])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,6]C[5,6]O[5])(H)3	C[5,6](C[5,6]C[5,6a]C[6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5,6a])(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4707	0.023	9	109.4707	0.001	9	109.4707	0.001	9	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]2O[5])(H)3	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]HO)(O[5]C[5,6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2O[5])(H)3	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]HO)(O[5]C[5,6])(CH3){3|H<1>,6|C<4>}	H(CC[5,6]HH)	109.4950	0.000	1	109.4950	0.000	1	109.4950	0.000	1	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6,6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[6]C[6,6])(CH3){1|C<4>,2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4950	0.033	3	109.4950	0.001	3	109.4772	0.001	9	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(O[6]N[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]HH)(O[6]N[6])(CH3){1|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4613	0.036	3	109.4613	0.001	3	109.4772	0.001	9	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(O[6]N[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(O[6]N[6])(CH3){2|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4753	0.039	3	109.4753	0.001	3	109.4772	0.001	9	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(CH3){1|C<4>,1|N<3>,1|S<4>,4|H<1>}	H(CC[5,6]HH)	109.4550	0.031	3	109.4550	0.001	3	109.4720	0.001	6	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(N[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(N[5]C[5])(CH3){1|C<3>,1|O<1>,2|C<4>}	H(CC[5,6]HH)	109.4890	0.011	3	109.4890	0.000	3	109.4720	0.001	6	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6,6]ClH)(C[6]C[6]HH)(O[5]O[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6,6]ClH)(C[6]C[6]HH)(O[5]O[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4826	0.033	5	109.4826	0.001	5	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(O[5]C[5])(CH3){2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4793	0.022	3	109.4793	0.000	3	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CC[5,6]HH)	109.4653	0.067	3	109.4592	0.002	6	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3){1|H<1>,1|O<2>,3|C<3>}	H(CC[5,6]HH)	109.4530	0.040	3	109.4592	0.002	6	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>}	H(CC[5,6]HH)	111.0357	0.890	3	111.0357	0.792	3	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]HH)(O[5]N[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]HH)(O[5]N[5])(CH3){1|C<3>,3|C<4>}	H(CC[5,6]HH)	109.4465	0.021	2	109.4465	0.000	2	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(O[5]C[5])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5,6]HH)	109.4935	0.009	2	109.4935	0.000	2	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	109.4643	0.016	3	109.4643	0.000	3	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(CC[5,6]HH)	109.4583	0.045	3	109.4583	0.002	3	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]B[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]B[5])(CH3){1|O<1>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4705	0.016	2	109.4705	0.000	2	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.3915	0.012	2	109.3915	0.000	2	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	109.4868	0.069	4	109.4868	0.005	4	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(CH3){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(CC[5,6]HH)	109.4750	0.059	2	109.4750	0.004	2	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(CH3){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(CC[5,6]HH)	109.4395	0.005	2	109.4395	0.000	2	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(CC[5,6]HH)	109.4735	0.022	2	109.4735	0.000	2	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4847	0.021	6	109.4847	0.000	6	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]B[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]B[5])(CH3){1|O<2>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4726	0.017	5	109.4726	0.000	5	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5,5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5,5])(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4807	0.008	3	109.4807	0.000	3	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4820	0.028	3	109.4791	0.000	16	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<1>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4834	0.020	10	109.4791	0.000	16	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<2>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4620	0.017	3	109.4791	0.000	16	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[3,6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[3,6]HH)(O[5]C[5])(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4540	0.025	3	109.4540	0.001	3	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4748	0.040	6	109.4748	0.002	6	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(CC[5,6]HH)	108.2683	0.889	3	108.2683	0.790	3	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<2>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4685	0.013	2	109.4685	0.000	2	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(CH3){1|H<1>,1|O<2>,4|C<4>}	H(CC[5,6]HH)	109.3330	3.284	3	109.3330	10.787	3	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|C<3>,1|N<2>,3|C<4>}	H(CC[5,6]HH)	109.3037	0.295	3	109.4188	0.649	9	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|C<3>,1|O<2>,3|C<4>}	H(CC[5,6]HH)	109.8983	1.383	3	109.4188	0.649	9	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|H<1>,4|C<4>}	H(CC[5,6]HH)	109.0543	0.186	3	109.4188	0.649	9	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<4>,1|S<1>,4|H<1>}	H(CC[5,6]HH)	109.5077	0.023	3	109.5077	0.001	3	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	H(CC[5,6]HH)	109.4660	0.024	3	109.4684	0.000	5	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3){1|C<4>,1|S<1>,1|S<2>,4|H<1>}	H(CC[5,6]HH)	109.4720	0.013	2	109.4684	0.000	5	109.4740	0.402	105	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:S[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]S[5])(H)3	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6a]C[6]H)(S[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]S[5])(H)3	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6a]C[6]H)(S[5]C[5])(CH3){1|S<1>,4|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4913	0.042	3	109.4913	0.002	3	109.4913	0.002	3	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]Se[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]Se[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CN)(Se[5]Se[5])(CH3){1|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4343	0.042	3	109.4343	0.002	3	109.4515	0.001	17	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]Se[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]Se[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3){1|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4570	0.036	9	109.4592	0.001	11	109.4515	0.001	17	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]Se[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]Se[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HN)(Se[5]Se[5])(CH3){2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4690	0.006	2	109.4592	0.001	11	109.4515	0.001	17	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:Se[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]Se[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]Se[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HO)(Se[5]Se[5])(CH3){2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4407	0.033	3	109.4407	0.001	3	109.4515	0.001	17	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]O[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]O[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(O[5]C[5])(CH3){1|O<1>,3|C<4>,3|O<2>,4|H<1>}	H(CC[5,6]HH)	109.4627	0.060	3	109.4627	0.004	3	109.4665	0.002	11	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]O[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]O[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<3>,2|H<1>,2|O<1>,5|C<4>}	H(CC[5,6]HH)	109.4680	0.043	8	109.4680	0.002	8	109.4665	0.002	11	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6]-4:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]N[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]N[6]H)(O[5]C[5])(CH3){1|O<1>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4720	0.007	3	109.4720	0.000	3	109.4692	0.001	5	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6]-4:C[5,6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CC[5,6]HH)	109.4650	0.049	2	109.4650	0.002	2	109.4692	0.001	5	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:I-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI)	H(CC[5,6]HI)	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	H(CC[5,6]HI)	107.8590	0.465	2	108.2193	0.245	4	108.3572	0.193	6	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:I-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI)	H(CC[5,6]HI)	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI){2|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]HI)	108.5795	0.011	2	108.2193	0.245	4	108.3572	0.193	6	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:I-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHHI)	H(CC[5,6]HI)	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHHI){1|C<4>,1|O<1>,6|H<1>}	H(CC[5,6]HI)	108.6330	0.013	2	108.6330	0.000	2	108.3572	0.193	6	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:2:4:	4:	C[5,6]-4:H-1:H-1:O-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6,6]C[6]O[5])(H)2(O)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6,6]C[6]O[5])(H)2(O)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CHHO){3|C<4>}	H(CC[5,6]HO)	112.5270	5.841	2	112.5270	34.114	2	112.5270	34.114	2	109.4794	0.469	231	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[3,5,6]C[5,6]C[6])(H)3	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5,6]C[6])(H)3	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3){2|H<1>,2|O<1>,4|C<3>}	H(CC[5,6]HH)	110.0177	1.636	3	110.0177	2.676	3	110.0177	2.676	3	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3){1|O<1>,4|C<3>}	H(CC[5,6]HH)	109.5017	0.020	3	109.5017	0.000	3	106.4940	33.346	9	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,1|S<4>,2|H<1>}	H(CC[5,6]HH)	104.9902	6.724	6	104.9902	45.212	6	106.4940	33.346	9	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4527	0.049	3	109.4827	0.003	6	109.4827	0.003	6	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,7|H<1>}	H(CC[5,6]HH)	109.5127	0.048	3	109.4827	0.003	6	109.4827	0.003	6	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[3,5]C[3,6]C[5,6])(H)3	C[5,6](C[3,5]C[3,5]O[3]C)(C[3,6]C[3,6]O[3]C)(C[5,6]C[6]P[5])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[3,6]C[5,6])(H)3	C[5,6](C[3,5]C[3,5]O[3]C)(C[3,6]C[3,6]O[3]C)(C[5,6]C[6]P[5])(CH3){1|W<6>,2|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4917	0.028	3	109.4917	0.001	3	109.4917	0.001	3	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[6,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6,6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6,6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.5290	0.034	2	109.5290	0.001	2	109.5290	0.001	2	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[3x5,6]C[5]C[6])(H)3	C[5,6](C[3x5,6]C[3x5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3x5,6]C[5]C[6])(H)3	C[5,6](C[3x5,6]C[3x5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	H(CC[5,6]HH)	109.4760	0.412	3	109.4760	0.170	3	109.4760	0.170	3	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,4x6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,4x6]C[5]C[6])(H)3	C[5,6](C[5,4x6]C[5,3x6]C[6,6]O[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,4x6]C[5]C[6])(H)3	C[5,6](C[5,4x6]C[5,3x6]C[6,6]O[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){4|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4963	0.035	3	109.4963	0.001	3	109.4963	0.001	3	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4515	0.013	4	109.4515	0.000	4	109.4642	0.001	13	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4633	0.022	4	109.4633	0.000	4	109.4642	0.001	13	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,6,6a]C[5]2)(C[5]C[5]CC)(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,6,6a]C[5]2)(C[5]C[5]CC)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4752	0.034	5	109.4752	0.001	5	109.4642	0.001	13	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[3,5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[3,5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4428	0.029	4	109.4428	0.001	4	109.4655	0.002	42	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.5007	0.024	3	109.4667	0.002	19	109.4655	0.002	42	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4626	0.047	10	109.4667	0.002	19	109.4655	0.002	42	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[6]C[6]HO)(C[5]O[5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4565	0.057	6	109.4667	0.002	19	109.4655	0.002	42	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(CH3){1|H<1>,1|O<2>,1|P<4>,2|C<4>,3|C<3>}	H(CC[5,6]HH)	109.4625	0.055	11	109.4625	0.003	11	109.4655	0.002	42	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	109.4913	0.018	3	109.4913	0.000	3	109.4655	0.002	42	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){4|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4910	0.049	3	109.4910	0.002	3	109.4655	0.002	42	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|O<2>,7|H<1>}	H(CC[5,6]HH)	109.4405	0.019	2	109.4405	0.000	2	109.4655	0.002	42	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]2H)(C[5,6]C[5,6]CH)(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]2H)(C[5,6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(CC[5,6]HH)	109.4607	0.040	6	109.4607	0.002	6	109.4688	0.001	23	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]N)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]N)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4883	0.020	3	109.4883	0.000	3	109.4688	0.001	23	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4487	0.042	3	109.4783	0.002	6	109.4688	0.001	23	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(CC[5,6]HH)	109.5080	0.033	3	109.4783	0.002	6	109.4688	0.001	23	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]CH)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]CH)(C[6]C[6]O)(CH3){1|Br<1>,2|H<1>,4|C<4>}	H(CC[5,6]HH)	109.4800	0.052	3	109.4604	0.001	8	109.4688	0.001	23	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]CH)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]CH)(C[6]C[6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	109.4486	0.023	5	109.4604	0.001	8	109.4688	0.001	23	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]C[6,6])(H)3	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]O[6])(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]C[6,6])(H)3	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]O[6])(CH3){1|O<2>,3|C<3>,5|C<4>}	H(CC[5,6]HH)	109.4987	0.049	3	109.4987	0.002	3	109.4987	0.002	3	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6,6]H)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6,6]H)(C[6]C[6]O)(CH3){1|O<2>,3|C<3>,4|C<4>}	H(CC[5,6]HH)	109.4730	0.011	2	109.4730	0.000	2	109.4730	0.000	2	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]O[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]O[6]O)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4713	0.061	3	109.4713	0.004	3	109.4696	0.001	8	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[5,6]HH)	109.4595	0.015	2	109.4595	0.000	2	109.4696	0.001	8	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]CH)(C[6]N[6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]CH)(C[6]N[6]C)(CH3){1|O<1>,1|S<4>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4747	0.013	3	109.4747	0.000	3	109.4696	0.001	8	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|H<1>,4|C<4>}	H(CC[5,6]HH)	109.4667	0.021	3	109.4667	0.000	3	109.6358	0.608	63	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[5,6]HH)	109.4840	0.015	3	109.4840	0.000	3	109.6358	0.608	63	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[6]C[6,6a]CO)(C[5]C[5,6a]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[6]C[6,6a]CO)(C[5]C[5,6a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CC[5,6]HH)	109.4657	0.027	3	109.4657	0.001	3	109.6358	0.608	63	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HO)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3,6]HO)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	109.4545	0.015	2	109.4545	0.000	2	109.6358	0.608	63	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3){3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4663	0.009	3	109.4663	0.000	3	109.6358	0.608	63	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	109.4785	0.017	4	109.4819	0.001	37	109.6358	0.608	63	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4865	0.030	10	109.4819	0.001	37	109.6358	0.608	63	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4832	0.033	10	109.4819	0.001	37	109.6358	0.608	63	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4749	0.031	10	109.4819	0.001	37	109.6358	0.608	63	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|H<1>,4|C<4>}	H(CC[5,6]HH)	109.4903	0.040	3	109.4819	0.001	37	109.6358	0.608	63	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]HO)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[6]C[6]HO)(C[5]O[5]O)(CH3){3|H<1>,4|C<4>}	H(CC[5,6]HH)	109.4993	0.076	3	109.4993	0.006	3	109.6358	0.608	63	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(CC[5,6]HH)	110.9830	1.992	6	110.5743	3.553	9	109.6358	0.608	63	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|C<3>,4|H<1>}	H(CC[5,6]HH)	109.7570	1.670	3	110.5743	3.553	9	109.6358	0.608	63	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(CH3){1|N<3>,2|C<4>,4|C<3>}	H(CC[5,6]HH)	109.4597	0.071	6	109.4597	0.005	6	110.5003	3.772	12	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]O)(CH3){4|C<4>,7|H<1>}	H(CC[5,6]HH)	111.5410	2.386	6	111.5410	5.695	6	110.5003	3.772	12	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3){2|C<4>,2|H<1>,4|C<3>}	H(CC[5,6]HH)	109.4827	0.017	4	109.7217	0.416	7	109.7217	0.416	7	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3){2|C<4>,3|C<3>,3|H<1>}	H(CC[5,6]HH)	110.0403	0.991	3	109.7217	0.416	7	109.7217	0.416	7	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(CH3){1|C<3>,3|H<1>}	H(CC[5,6]HH)	110.2460	1.640	9	110.2460	2.691	9	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CH)(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CH)(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<4>}	H(CC[5,6]HH)	109.4417	0.030	3	109.4417	0.001	3	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4752	0.017	5	109.4752	0.000	5	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4563	0.023	3	109.4563	0.001	3	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]HH)(C[6]N[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]HH)(C[6]N[6]O)(CH3){1|C<4>,4|C<3>}	H(CC[5,6]HH)	110.0478	1.342	6	110.0478	1.800	6	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4690	0.000	1	109.4690	0.000	1	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.5010	0.000	1	109.5010	0.000	1	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4397	0.031	3	109.4397	0.001	3	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	110.4440	1.186	6	110.4440	1.406	6	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4657	0.048	3	109.4657	0.002	3	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.8077	0.545	3	109.8077	0.298	3	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]O)(CH3){1|C<4>,1|O<2>,5|H<1>}	H(CC[5,6]HH)	109.4800	0.025	5	109.4800	0.001	5	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|H<1>}	H(CC[5,6]HH)	105.8500	1.817	2	105.8500	3.302	2	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4650	0.000	1	109.4650	0.000	1	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(CC[5,6]HH)	111.5860	1.446	3	109.8398	2.030	17	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4656	1.150	14	109.8398	2.030	17	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4567	0.020	6	109.4567	0.000	6	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]O[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]O[6]O)(CH3){2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4627	0.025	3	109.4627	0.001	3	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]O)(CH3){1|S<4>,3|C<3>}	H(CC[5,6]HH)	109.4470	0.018	2	109.4470	0.000	2	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]N[6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4805	0.018	2	109.4805	0.000	2	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.7650	1.227	3	109.7650	1.505	3	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	110.7873	0.563	6	110.3418	0.552	12	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3){2|C<4>,2|H<1>,2|O<1>}	H(CC[5,6]HH)	109.8962	0.648	6	110.3418	0.552	12	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]N)(C[5]C[6a]C[5]C)(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]N)(C[5]C[6a]C[5]C)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(CC[5,6]HH)	109.4760	0.021	2	109.4760	0.000	2	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HO)(C[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HO)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,5|H<1>}	H(CC[5,6]HH)	109.4712	0.031	8	109.4712	0.001	8	109.7291	1.212	106	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|B<3>,1|N<3>,3|H<1>}	H(CC[5,6]HH)	109.4973	0.066	4	109.4697	0.002	33	109.4666	0.002	41	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|B<4>,1|N<3>,3|H<1>}	H(CC[5,6]HH)	109.4786	0.025	5	109.4697	0.002	33	109.4666	0.002	41	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|N<3>,4|H<1>}	H(CC[5,6]HH)	109.4571	0.043	14	109.4697	0.002	33	109.4666	0.002	41	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|Ni<4>,1|N<3>,3|H<1>}	H(CC[5,6]HH)	109.4540	0.065	3	109.4697	0.002	33	109.4666	0.002	41	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|Pd<4>,1|N<3>,3|H<1>}	H(CC[5,6]HH)	109.4796	0.027	7	109.4697	0.002	33	109.4666	0.002	41	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]H)(CH3){1|N<3>,4|H<1>}	H(CC[5,6]HH)	109.4608	0.047	5	109.4608	0.002	5	109.4666	0.002	41	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(CH3){1|C<4>,1|O<1>,4|C<3>}	H(CC[5,6]HH)	109.4417	0.028	3	109.4417	0.001	3	109.4666	0.002	41	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4583	0.027	7	109.4604	0.001	8	109.4647	0.001	17	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3){2|C<3>,4|H<1>,5|C<4>}	H(CC[5,6]HH)	109.4750	0.000	1	109.4604	0.001	8	109.4647	0.001	17	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]O)(CH3){2|C<3>,3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4403	0.014	3	109.4403	0.000	3	109.4647	0.001	17	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4820	0.059	3	109.4827	0.001	6	109.4647	0.001	17	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3){3|C<3>,4|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4833	0.010	3	109.4827	0.001	6	109.4647	0.001	17	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|O<2>,8|H<1>}	H(CC[5,6]HH)	109.8053	0.791	3	109.8053	0.625	3	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4938	0.041	6	109.4938	0.002	6	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4387	0.016	3	109.4387	0.000	3	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.5037	0.046	6	109.5037	0.002	6	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]N)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]N)(CH3){2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4673	0.038	22	109.4673	0.001	22	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|Br<1>,2|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4815	0.016	2	109.4798	0.002	19	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4850	0.050	12	109.4798	0.002	19	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4666	0.055	5	109.4798	0.002	19	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.5080	0.092	3	109.5080	0.009	3	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4627	0.037	3	109.4627	0.001	3	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4546	0.019	5	109.4546	0.000	5	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4657	0.039	6	109.4657	0.002	6	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4737	0.020	3	109.4737	0.000	3	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4903	0.031	3	109.4903	0.001	3	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|O<2>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4715	0.011	2	109.4715	0.000	2	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	H(CC[5,6]HH)	109.4740	0.000	1	109.4740	0.000	1	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)(CH3){1|O<1>,4|C<3>}	H(CC[5,6]HH)	109.9373	0.753	3	109.9373	0.567	3	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]O)(CH3){2|C<3>,6|H<1>}	H(CC[5,6]HH)	109.4814	0.030	5	109.4814	0.001	5	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,6|H<1>}	H(CC[5,6]HH)	109.4785	0.018	2	109.4657	0.001	7	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3){1|C<4>,8|H<1>}	H(CC[5,6]HH)	109.4606	0.027	5	109.4657	0.001	7	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4713	0.011	3	109.4622	0.000	6	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4530	0.020	3	109.4622	0.000	6	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4560	0.000	1	109.7986	0.989	12	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,1|O<2>,7|H<1>}	H(CC[5,6]HH)	110.7823	1.871	3	109.7986	0.989	12	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4943	0.010	3	109.7986	0.989	12	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,8|H<1>}	H(CC[5,6]HH)	109.4705	0.008	2	109.7986	0.989	12	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4520	0.022	3	109.7986	0.989	12	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(CC[5,6]HH)	110.2727	2.115	3	109.8750	1.979	6	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4773	0.042	3	109.8750	1.979	6	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4653	0.023	9	109.4653	0.001	9	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(CH3){1|O<1>,3|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4390	0.048	2	109.4390	0.002	2	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(C[5]C[5]C)(CH3){1|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4775	0.018	2	109.4775	0.000	2	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|O<1>}	H(CC[5,6]HH)	109.4733	0.019	3	109.4733	0.000	3	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(CC[5,6]HH)	108.3288	1.644	6	109.0183	1.305	15	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4780	0.034	9	109.0183	1.305	15	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(CC[5,6]HH)	109.4317	0.024	3	109.4602	0.001	16	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|N<3>,6|H<1>}	H(CC[5,6]HH)	109.4668	0.032	13	109.4602	0.001	16	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(CC[5,6]HH)	109.4400	0.020	2	109.4688	0.001	14	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4804	0.029	9	109.4688	0.001	14	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4530	0.024	3	109.4688	0.001	14	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	109.4933	0.087	6	109.4933	0.007	6	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(CC[5,6]HH)	109.4773	0.008	3	109.4880	0.000	10	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4815	0.035	2	109.4880	0.000	10	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4970	0.021	5	109.4880	0.000	10	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Br)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Br)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4427	0.259	3	109.4427	0.067	3	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4898	0.027	4	109.4422	0.016	46	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4642	0.031	4	109.4422	0.016	46	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4393	0.027	4	109.4422	0.016	46	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4644	0.123	14	109.4422	0.016	46	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4132	0.160	20	109.4422	0.016	46	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4756	0.044	19	109.4756	0.002	19	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]I)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]I)(CH3){2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4676	0.060	5	109.4676	0.004	5	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4597	0.043	10	109.4597	0.002	10	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|F<1>,6|H<1>}	H(CC[5,6]HH)	109.4725	0.013	2	109.5390	0.271	328	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[5,6]HH)	109.4723	0.039	3	109.5390	0.271	328	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(CC[5,6]HH)	109.4645	0.009	2	109.5390	0.271	328	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4540	0.144	9	109.5390	0.271	328	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4804	0.039	9	109.5390	0.271	328	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4680	0.028	5	109.5390	0.271	328	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4796	0.078	34	109.5390	0.271	328	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4520	0.033	3	109.5390	0.271	328	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4487	0.017	3	109.5390	0.271	328	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4722	0.016	6	109.5390	0.271	328	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4343	0.891	3	109.5390	0.271	328	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4515	0.039	2	109.5390	0.271	328	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4840	0.029	3	109.5390	0.271	328	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.5646	0.603	238	109.5390	0.271	328	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4795	0.026	6	109.5390	0.271	328	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4673	0.037	3	109.4673	0.001	3	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4925	0.012	2	109.4934	0.001	7	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4938	0.037	5	109.4934	0.001	7	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4697	0.024	3	109.4660	0.000	6	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4623	0.022	3	109.4660	0.000	6	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6,6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6,6]HH)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4787	0.017	6	109.4787	0.000	6	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(CC[5,6]HH)	109.4185	0.018	2	109.4718	0.002	19	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4832	0.027	9	109.4718	0.002	19	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|N<3>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4728	0.053	6	109.4718	0.002	19	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4710	0.008	2	109.4718	0.002	19	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HO)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4760	0.023	3	109.4760	0.001	3	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<3>,6|H<1>}	H(CC[5,6]HH)	109.4763	0.019	3	109.4763	0.000	3	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){3|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4535	0.009	2	109.4535	0.000	2	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>,4|C<4>}	H(CC[5,6]HH)	109.4860	0.013	2	109.4678	0.000	5	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(CC[5,6]HH)	109.4557	0.018	3	109.4678	0.000	5	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4423	0.045	3	109.4423	0.002	3	109.5057	0.207	669	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(N[5]C[5]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]CO)(N[5]C[5]H)(CH3){1|C<4>,1|O<1>,3|H<1>}	H(CC[5,6]HH)	110.2960	1.130	3	110.2960	1.276	3	109.9730	0.834	5	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]O[6]HH)(N[5]C[5]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]O[6]HH)(N[5]C[5]H)(CH3){2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4885	0.021	2	109.4885	0.000	2	109.9730	0.834	5	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6]CC)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6]CC)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4900	0.024	3	109.4900	0.001	3	109.4900	0.001	3	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N)(CH3){1|O<2>,5|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4460	0.000	1	109.4460	0.000	1	109.9864	1.127	30	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]Br)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]Br)(CH3){3|C<4>,8|H<1>}	H(CC[5,6]HH)	109.4795	0.034	6	109.4795	0.001	6	109.9864	1.127	30	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(CC[5,6]HH)	109.4932	0.030	6	110.3336	1.603	18	109.9864	1.127	30	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){3|C<4>,9|H<1>}	H(CC[5,6]HH)	110.7538	1.378	12	110.3336	1.603	18	109.9864	1.127	30	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]C)(CH3){2|C<3>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4530	0.028	5	109.4530	0.001	5	109.9864	1.127	30	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:3:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]HH)(C[5]C[5]C)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]HH)(C[5]C[5]C)(CH3){1|P<3>,4|C<3>}	H(CC[5,6]HH)	109.4573	0.028	3	109.4573	0.001	3	109.4573	0.001	3	109.5339	0.711	1076	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:Br-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(Br)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CBrHH)(H)	H(CC[5,6]BrH)	C(C[5,6]C[5,5,6]C[5,6]H)(Br)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CBrHH)(H){1|Br<1>,1|C<4>,4|H<1>}	H(CC[5,6]BrH)	109.2460	0.222	3	109.2460	0.049	3	109.2460	0.049	3	109.3877	1.475	79	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:F-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,6]2H)(F)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CFHH)(H)	H(CC[5,6]FH)	C(C[5,6]C[5,6]2H)(F)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CFHH)(H){3|C<3>,3|H<1>}	H(CC[5,6]FH)	110.1020	0.057	2	110.1020	0.003	2	110.1020	0.003	2	109.3877	1.475	79	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:H-1:H-1:H-1:	B[5,6]-4:P[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]B[5,6]P[5,6]H)(H)3	C[5,6](B[5,6]P[5,6]C[6a]C[5])(P[5,6]B[5,6]C[6a]C[5])(CH3)(H)	H(CC[5,6]HH)	C(C[5,6]B[5,6]P[5,6]H)(H)3	C[5,6](B[5,6]P[5,6]C[6a]C[5])(P[5,6]B[5,6]C[6a]C[5])(CH3)(H){3|C<4>,4|H<1>,6|C<3>}	H(CC[5,6]HH)	109.4942	0.023	5	109.4942	0.001	5	109.4942	0.001	5	109.3877	1.475	79	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5,6,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[3,5,6]C[5,6,6]H)(H)3	C[5,6](C[3,5,6]C[3,5,6,6]C[3,3x6]H)(C[5,6,6]C[5,6]C[6,6]H)(CH3)(H)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5,6,6]H)(H)3	C[5,6](C[3,5,6]C[3,5,6,6]C[3,3x6]H)(C[5,6,6]C[5,6]C[6,6]H)(CH3)(H){1|O<1>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	109.4546	0.042	7	109.4546	0.002	7	109.4546	0.002	7	109.3877	1.475	79	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]2H)(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]O[5,6]H)(CH3)(H)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]2H)(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,5,6]C[5,5]O[5,6]H)(CH3)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(CC[5,6]HH)	109.4650	0.019	3	109.4650	0.000	3	109.4650	0.000	3	109.3877	1.475	79	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-4:O-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6,6]O)(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(O)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6,6]O)(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[5,6]HH)	105.6083	5.255	3	105.6083	27.611	3	105.6083	27.611	3	109.3877	1.475	79	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(CH3)(H)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]As[5,5]C[5,6]H)(C[5,6]C[5,5,6]HP)(CH3)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[5,6]HH)	109.4607	0.041	6	109.4607	0.002	6	109.5333	0.108	40	109.3877	1.475	79	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HO)(CH3)(H)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HO)(CH3)(H){2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4710	0.049	2	109.4710	0.002	2	109.5333	0.108	40	109.3877	1.475	79	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4400	0.021	4	109.6476	0.276	15	109.5333	0.108	40	109.3877	1.475	79	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)(H){1|C<3>,4|H<1>}	H(CC[5,6]HH)	109.7231	0.602	11	109.6476	0.276	15	109.5333	0.108	40	109.3877	1.475	79	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CH3)(H)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4610	0.036	5	109.4654	0.001	17	109.5333	0.108	40	109.3877	1.475	79	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CH3)(H)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CH3)(H){1|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4672	0.039	12	109.4654	0.001	17	109.5333	0.108	40	109.3877	1.475	79	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,6,6]C[5,6]H)(H)3	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5,6]C[5]C[6]H)(CH3)(H)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]H)(H)3	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5,6]C[5]C[6]H)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(CC[5,6]HH)	109.4395	0.037	2	109.4395	0.001	2	109.4395	0.001	2	109.3877	1.475	79	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,6]2H)(H)3	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2H)(H)3	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4580	0.011	5	109.4580	0.000	5	109.6144	0.763	14	109.3877	1.475	79	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,6]2H)(H)3	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2H)(H)3	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]O)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4843	0.036	3	109.4843	0.001	3	109.6144	0.763	14	109.3877	1.475	79	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,6]2H)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]O[5]O[6]C)(CH3)(H)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2H)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]O[5]O[6]C)(CH3)(H){1|C<4>,1|N<2>,2|C<2>}	H(CC[5,6]HH)	110.1393	2.105	3	110.1393	4.430	3	109.6144	0.763	14	109.3877	1.475	79	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:1:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,6]2H)(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(CH3)(H)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2H)(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(CC[5,6]HH)	109.4800	0.026	3	109.4800	0.001	3	109.6144	0.763	14	109.3877	1.475	79	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:2:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C-4:	C(C[5,6]C[5,5,6]2O)(H)3	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CH3)(OC)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]2O)(H)3	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CH3)(OC){1|C<3>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4295	0.019	2	109.4295	0.000	2	109.5486	1.307	10	109.1879	7.335	40	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:2:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C-4:	C(C[5,6]C[5,5,6]2O)(H)3	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CH3)(OH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]2O)(H)3	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.5120	0.020	2	109.5120	0.000	2	109.5486	1.307	10	109.1879	7.335	40	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:2:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:O-2:	C-4:	C(C[5,6]C[5,5,6]2O)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,6]C[5]2)(CH3)(OH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]2O)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,6]C[5]2)(CH3)(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(CC[5,6]HH)	109.6005	1.531	6	109.6005	2.343	6	109.5486	1.307	10	109.1879	7.335	40	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:2:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-4:O-2:	C-4:	C(C[5,6]C[5,5,6]C[5,6,6]O)(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(OH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6,6]O)(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(OH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[5,6]HH)	108.6503	4.370	15	108.6503	19.095	15	108.6503	19.095	15	109.1879	7.335	40	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:2:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:O-2:	C-4:	C(C[5,6]C[5,5,6]C[5,6]O)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CH3)(OC)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]O)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CH3)(OC){3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4720	0.048	3	109.4720	0.002	3	109.4704	0.001	7	109.1879	7.335	40	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:2:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:O-2:	C-4:	C(C[5,6]C[5,5,6]C[5,6]O)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CH3)(OH)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]O)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CH3)(OH){1|O<2>,2|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4693	0.010	4	109.4693	0.000	4	109.4704	0.001	7	109.1879	7.335	40	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:2:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:O-2:	C-4:	C(C[5,6]C[5,6,6]C[5,6]O)(H)3	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[5,6]C[6,6]C[5]H)(CH3)(OH)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]O)(H)3	C[5,6](C[5,6,6]C[6,6,6a]C[5]C[6])(C[5,6]C[6,6]C[5]H)(CH3)(OH){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(CC[5,6]HH)	109.4900	0.027	5	109.4900	0.001	5	109.4900	0.001	5	109.1879	7.335	40	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:2:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C-4:	C(C[5,6]C[5,6]2O)(H)3	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)(OC)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2O)(H)3	C[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)(OC){1|O<1>,3|C<3>,4|H<1>}	H(CC[5,6]HH)	109.5107	0.030	3	109.5107	0.001	3	109.5107	0.001	3	109.1879	7.335	40	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:3:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C-4:C-3:	C-4:	C(C[5,6]C[5,5,6,6]C[5,6]C)(H)3	C[5,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6]C[5,5,6]HH)(CH3)(COO)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6,6]C[5,6]C)(H)3	C[5,6](C[5,5,6,6]C[3x5,6]O[5,6]C[6])(C[5,6]C[5,5,6]HH)(CH3)(COO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(CC[5,6]HH)	109.4660	0.013	2	109.4660	0.000	2	109.4660	0.000	2	109.4636	0.000	5	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:3:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a]C)(CH3)(COO)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a]C)(CH3)(COO){1|C<4>,2|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4620	0.010	3	109.4620	0.000	3	109.4620	0.000	3	109.4636	0.000	5	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:Cl-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(Cl)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CClHH)	H(CC[5,6]ClH)	C(C[5,6]C[5,6]C[5]C[6])(Cl)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CClHH){2|C<4>,7|H<1>}	H(CC[5,6]ClH)	108.9775	0.013	2	108.9775	0.000	2	108.9775	0.000	2	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5,6,6]C[5]C[6])(H)3	C[5,6](C[3,5,6,6]C[3,6,6]N[5,6]C[3])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6,6]C[5]C[6])(H)3	C[5,6](C[3,5,6,6]C[3,6,6]N[5,6]C[3])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Cl<1>,1|O<1>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	110.7350	0.984	3	110.7350	0.968	3	110.7350	0.968	3	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[5,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4500	0.028	3	109.4500	0.001	3	109.4500	0.001	3	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[5,6]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5,6]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<4>,8|H<1>}	H(CC[5,6]HH)	109.4795	0.019	2	109.4795	0.000	2	109.4795	0.000	2	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4770	0.040	2	109.4527	0.001	4	109.4865	0.002	20	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4285	0.016	2	109.4527	0.001	4	109.4865	0.002	20	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4800	0.043	3	109.4800	0.002	3	109.4865	0.002	20	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[3,6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[3,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4760	0.000	1	109.4760	0.000	1	109.4865	0.002	20	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.5050	0.042	3	109.5050	0.002	9	109.4865	0.002	20	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.5137	0.062	3	109.5050	0.002	9	109.4865	0.002	20	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[6,6]O[3])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4963	0.034	3	109.5050	0.002	9	109.4865	0.002	20	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,6,6]C[5]O[3])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5,6](C[3,5,6]C[3,6,6]C[5]O[3])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4860	0.026	3	109.4860	0.001	3	109.4865	0.002	20	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,9|H<1>}	H(CC[5,6]HH)	109.4762	0.031	12	109.5863	0.503	32	109.5292	0.248	65	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){1|O<1>,3|C<4>,8|H<1>}	H(CC[5,6]HH)	109.4680	0.039	3	109.5863	0.503	32	109.5292	0.248	65	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,3|C<4>,9|H<1>}	H(CC[5,6]HH)	109.7163	1.038	15	109.5863	0.503	32	109.5292	0.248	65	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){2|O<2>,3|C<4>,8|H<1>}	H(CC[5,6]HH)	109.4500	0.014	2	109.5863	0.503	32	109.5292	0.248	65	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]O)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]O)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	H(CC[5,6]HH)	109.4692	0.033	6	109.4692	0.001	6	109.5292	0.248	65	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	H(CC[5,6]HH)	109.4824	0.038	18	109.4749	0.002	27	109.5292	0.248	65	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,3|O<2>,6|H<1>}	H(CC[5,6]HH)	109.4790	0.007	3	109.4749	0.002	27	109.5292	0.248	65	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|O<2>,2|C<3>,8|H<1>}	H(CC[5,6]HH)	109.4260	0.047	3	109.4749	0.002	27	109.5292	0.248	65	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[5,6](C[3,5,6]C[5,6]C[3]O[3])(C[6,6]C[6,6]C[6]C)(C[5]C[5]HO)(CH3){1|O<2>,2|C<4>,8|H<1>}	H(CC[5,6]HH)	109.4747	0.046	3	109.4749	0.002	27	109.5292	0.248	65	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4743	0.027	3	109.4743	0.001	3	109.5162	0.045	60	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	H(CC[5,6]HH)	109.4620	0.020	3	109.7800	0.232	9	109.5162	0.045	60	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3){1|C<4>,1|O<1>,2|O<2>,5|H<1>}	H(CC[5,6]HH)	110.4107	0.177	3	109.7800	0.232	9	109.5162	0.045	60	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3){2|C<3>,3|O<2>,4|H<1>}	H(CC[5,6]HH)	109.4673	0.020	3	109.7800	0.232	9	109.5162	0.045	60	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[6]CH)(CH3){1|O<1>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4730	0.000	1	109.4730	0.000	1	109.5162	0.045	60	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,7|H<1>}	H(CC[5,6]HH)	109.4820	0.051	3	109.4820	0.003	3	109.5162	0.045	60	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]O[3])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]C[3]O[3])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(CC[5,6]HH)	109.4613	0.007	3	109.4613	0.000	3	109.5162	0.045	60	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]N[5a]O[3])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]N[5a]O[3])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4483	0.022	3	109.4483	0.000	3	109.5162	0.045	60	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4710	0.020	3	109.4710	0.000	3	109.5162	0.045	60	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4447	0.017	3	109.4690	0.001	29	109.5162	0.045	60	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4816	0.037	13	109.4690	0.001	29	109.5162	0.045	60	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4621	0.027	13	109.4690	0.001	29	109.5162	0.045	60	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]O[3]C)(C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4795	0.009	2	109.4795	0.000	2	109.5162	0.045	60	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4905	0.009	2	109.4905	0.000	2	109.5162	0.045	60	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<4>,9|H<1>}	H(CC[5,6]HH)	109.4640	0.008	2	109.4640	0.000	2	109.5162	0.045	60	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[3,6,6]C[5,6]C[5])(H)3	C[5,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,6,6]C[5,6]C[5])(H)3	C[5,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4707	0.042	3	109.4707	0.002	3	109.4447	0.002	6	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[3,6,6]C[5,6]C[5])(H)3	C[5,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,6,6]C[5,6]C[5])(H)3	C[5,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	109.4187	0.048	3	109.4187	0.002	3	109.4447	0.002	6	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[3,6]C[5,5]C[5,6])(H)3	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,6]C[5,5]C[5,6])(H)3	C[5,6](C[3,6]C[3]C[6]O[3])(C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4550	0.053	3	109.4550	0.003	3	109.4550	0.003	3	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[3,6]C[5,6]C[5])(H)3	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,6]C[5,6]C[5])(H)3	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(CH3){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(CC[5,6]HH)	109.9753	0.321	3	109.9753	0.103	3	109.9753	0.103	3	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3x5,6]C[5]C[6])(H)3	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O[5])(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3x5,6]C[5]C[6])(H)3	C[5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]O[5])(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(CC[5,6]HH)	109.4897	0.019	3	109.4897	0.000	3	109.4803	0.001	9	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3x5,6]C[5]C[6])(H)3	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3x5,6]C[5]C[6])(H)3	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	H(CC[5,6]HH)	109.4757	0.034	6	109.4757	0.001	6	109.4803	0.001	9	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[3x5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3x5]C[5,6]C[6])(H)3	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6]O)(C[6]O[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3x5]C[5,6]C[6])(H)3	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6]O)(C[6]O[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	110.5820	2.495	3	110.5820	6.225	3	110.5820	6.225	3	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[4,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[4,5]C[5,6]C[6])(H)3	C[5,6](C[4,5]C[4]C[5]O[4])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[4,5]C[5,6]C[6])(H)3	C[5,6](C[4,5]C[4]C[5]O[4])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){3|C<4>,9|H<1>}	H(CC[5,6]HH)	109.5098	0.057	5	109.5098	0.003	5	109.5098	0.003	5	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[4,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[4,6]C[5,6])(H)3	C[5,6](C[4,6]C[4,5,6]C[4,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[4,6]C[5,6])(H)3	C[5,6](C[4,6]C[4,5,6]C[4,6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4800	0.024	5	109.4800	0.001	5	109.4800	0.001	5	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,3x6]C[5]C[6])(H)3	C[5,6](C[5,3x6]C[5,3x6]C[4x6]H)(C[5]N[5,6,6]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,3x6]C[5]C[6])(H)3	C[5,6](C[5,3x6]C[5,3x6]C[4x6]H)(C[5]N[5,6,6]HH)(C[6]C[6]HH)(CH3){1|O<2>,3|H<1>,4|C<4>}	H(CC[5,6]HH)	111.5070	2.066	3	111.5070	4.270	3	111.5070	4.270	3	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,4x6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,4x6]C[5]C[6])(H)3	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,4x6]C[5]C[6])(H)3	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4497	0.017	3	109.4638	0.002	14	109.4638	0.002	14	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,4x6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,4x6]C[5]C[6])(H)3	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,4x6]C[5]C[6])(H)3	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,1|S<4>,4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4275	0.022	2	109.4638	0.002	14	109.4638	0.002	14	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,4x6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,4x6]C[5]C[6])(H)3	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,4x6]C[5]C[6])(H)3	C[5,6](C[5,4x6]C[5,6,6]C[3x6]C[6,6])(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4766	0.045	9	109.4638	0.002	14	109.4638	0.002	14	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6,6]C[5,6]C)(H)3	C[5,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(C[5,6]C[5,5,6,6]HH)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6,6]C[5,6]C)(H)3	C[5,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(C[5,6]C[5,5,6,6]HH)(CH3)2{1|C<4>,1|O<1>,2|C<3>,2|N<3>}	H(CC[5,6]HH)	109.4748	0.016	4	109.4748	0.000	4	109.4748	0.000	4	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]2C)(H)3	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,6]O[5,5]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]2C)(H)3	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,6]O[5,5]H)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4886	0.031	5	109.4886	0.001	5	109.4172	0.021	24	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]2C)(H)3	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]C)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]2C)(H)3	C[5,6](C[5,5,6]C[3x5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]C)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.3645	0.183	13	109.3645	0.033	13	109.4172	0.021	24	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]2C)(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]2C)(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2{2|C<4>,4|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4718	0.033	6	109.4718	0.001	6	109.4172	0.021	24	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]2)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]2)(CH3)2{2|C<3>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4530	0.034	7	109.4530	0.001	7	109.4530	0.001	7	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(CC[5,6]HH)	110.9215	1.719	6	110.9215	2.956	6	109.6366	0.868	143	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C[6a])(C[5,6]C[5,5,6]HH)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C[6a])(C[5,6]C[5,5,6]HH)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[5,6]HH)	109.4480	0.034	4	109.4480	0.001	4	109.6366	0.868	143	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CH3)2{1|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4706	0.035	10	109.4706	0.001	10	109.6366	0.868	143	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]O)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4639	0.067	58	109.4639	0.005	58	109.6366	0.868	143	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(CH3){1|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4760	0.047	3	109.4760	0.002	3	109.6366	0.868	143	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN[5]HH)(CH3){1|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4655	0.073	6	109.4655	0.005	6	109.6366	0.868	143	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CH3)2{2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.9341	1.846	28	109.9341	3.406	28	109.6366	0.868	143	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[5]H)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4826	0.032	5	109.4826	0.001	5	109.6366	0.868	143	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4838	0.044	5	109.4915	0.001	11	109.6366	0.868	143	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(CH3)2{4|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4980	0.036	6	109.4915	0.001	11	109.6366	0.868	143	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CCHH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CCHH)(CH3){1|C<3>,2|C<4>}	H(CC[5,6]HH)	109.4743	0.026	6	109.4743	0.001	6	109.6366	0.868	143	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CH3)2{1|O<1>,2|C<4>}	H(CC[5,6]HH)	109.8432	0.342	6	109.8432	0.117	6	109.6366	0.868	143	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C[5])(H)3	C[5,6](C[5,5,6]C[3x5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C[5])(H)3	C[5,6](C[5,5,6]C[3x5,6]C[5]O[5])(C[5,6]C[5,6]C[5]H)(C[5]O[5]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(CC[5,6]HH)	108.3127	2.765	3	108.3127	7.643	3	109.4945	3.355	13	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C[5])(H)3	C[5,6](C[5,5,6]C[3x5,6]C[5]O[5])(C[5,6]C[5,6]C[5]O)(C[5]O[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C[5])(H)3	C[5,6](C[5,5,6]C[3x5,6]C[5]O[5])(C[5,6]C[5,6]C[5]O)(C[5]O[5]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(CC[5,6]HH)	109.4747	0.035	3	109.4747	0.001	3	109.4945	3.355	13	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C[5])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C[5])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(CC[5,6]HH)	109.4898	0.021	4	109.4898	0.000	4	109.4945	3.355	13	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C[5])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C[5])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6]O)(C[5]O[5]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(CC[5,6]HH)	110.7023	2.864	3	110.7023	8.203	3	109.4945	3.355	13	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C[6])(H)3	C[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6]C[6])(H)3	C[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|O<1>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4470	0.017	2	109.4470	0.000	2	109.4470	0.000	2	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[3,5,6,6]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[3,5,6,6]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,2|O<2>,6|H<1>}	H(CC[5,6]HH)	109.4317	0.011	3	109.4317	0.000	3	109.4558	0.962	45	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4625	0.013	4	109.4645	0.000	6	109.4558	0.962	45	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4685	0.005	2	109.4645	0.000	6	109.4558	0.962	45	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,8|H<1>}	H(CC[5,6]HH)	109.4318	1.877	13	109.4318	3.523	13	109.4558	0.962	45	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	H(CC[5,6]HH)	109.4567	0.017	3	109.4567	0.000	3	109.4558	0.962	45	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4624	0.025	5	109.4624	0.001	5	109.4558	0.962	45	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4797	0.039	3	109.4797	0.002	3	109.4558	0.962	45	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4840	0.029	5	109.4840	0.001	5	109.4558	0.962	45	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	H(CC[5,6]HH)	109.4615	0.015	2	109.4615	0.000	2	109.4558	0.962	45	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]O[5,6]O[5]2)(C[5]C[5,6]HH)(C[6]C[5,6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]O[5,6]O[5]2)(C[5]C[5,6]HH)(C[6]C[5,6]CH)(CH3){1|C<3>,1|H<1>,4|C<4>}	H(CC[5,6]HH)	109.4698	0.035	5	109.4698	0.001	5	109.4558	0.962	45	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[6,6]C[5])(H)3	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[6,6]C[5])(H)3	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4387	0.038	3	109.4387	0.001	3	109.4387	0.001	3	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	H(CC[5,6]HH)	109.4622	0.060	9	109.4661	0.002	15	109.4719	0.001	165	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[5,6]O)(C[6]C[5,6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	H(CC[5,6]HH)	109.4720	0.016	6	109.4661	0.002	15	109.4719	0.001	165	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[6,6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[3,5]C[5]O[5])(C[5,6]C[3,5]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4634	0.038	14	109.4634	0.001	14	109.4719	0.001	165	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4700	0.006	3	109.4700	0.000	3	109.4719	0.001	165	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]Br)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]Br)(C[5,6]C[5,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4490	0.083	2	109.4490	0.007	2	109.4719	0.001	165	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4620	0.011	2	109.4620	0.000	2	109.4719	0.001	165	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4650	0.022	3	109.4650	0.000	3	109.4719	0.001	165	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4567	0.039	3	109.4567	0.002	3	109.4719	0.001	165	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4793	0.020	3	109.4737	0.001	83	109.4719	0.001	165	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4413	0.033	3	109.4737	0.001	83	109.4719	0.001	165	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4748	0.034	77	109.4737	0.001	83	109.4719	0.001	165	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<2>,1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4650	0.036	3	109.4728	0.001	12	109.4719	0.001	165	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]C[5]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4754	0.039	9	109.4728	0.001	12	109.4719	0.001	165	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4754	0.025	13	109.4754	0.001	13	109.4719	0.001	165	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,1|S<4>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4687	0.056	3	109.4687	0.003	3	109.4719	0.001	165	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4765	0.021	2	109.4765	0.000	2	109.4719	0.001	165	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CH3){1|I<1>,1|O<1>,4|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4967	0.038	3	109.4967	0.001	3	109.4719	0.001	165	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4862	0.030	5	109.4806	0.001	7	109.4719	0.001	165	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,5]C[5]O[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4665	0.011	2	109.4806	0.001	7	109.4719	0.001	165	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[6,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6,6])(H)3	C[5,6](C[5,5]C[5,5]N[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6,6])(H)3	C[5,6](C[5,5]C[5,5]N[5]H)(C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(CH3){2|C<3>,3|C<4>,8|H<1>}	H(CC[5,6]HH)	109.4913	0.039	3	109.4913	0.001	3	109.4913	0.001	3	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[3x5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[3x5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5]C[3x5]C[5]O[5])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[3x5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[3x5]C[3x5]C[5]O[5])(C[6]C[6]HH)(CH3){1|B<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	H(CC[5,6]HH)	109.4837	0.017	3	109.4837	0.000	3	109.4837	0.000	3	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4440	0.046	5	109.4440	0.002	5	110.1861	2.661	19	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	C[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	C[5,6](C[5,6,6]C[5,5,6,6]C[6]O)(C[5,5,6]C[5,5]C[5,6]H)(CH3)2{1|O<2>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4799	0.042	8	109.4799	0.002	8	110.1861	2.661	19	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	C[5,6](C[5,6,6]C[5,5,6]C[6,6a]O[6])(C[5,5,6]C[5,5]C[5,6]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,5,6]C[5,6,6]C)(H)3	C[5,6](C[5,6,6]C[5,5,6]C[6,6a]O[6])(C[5,5,6]C[5,5]C[5,6]H)(CH3)2{1|P<4>,2|C<3>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	111.7462	2.303	6	111.7462	5.306	6	110.1861	2.661	19	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,5]C[5,5]C[5]O)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	H(CC[5,6]HH)	109.4773	0.040	3	109.4773	0.002	3	109.4773	0.002	3	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]C)(H)3	C[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[6]N[5]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]C)(H)3	C[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[6]N[5]H)(CH3)2{3|H<1>,5|C<4>}	H(CC[5,6]HH)	109.4731	0.026	13	109.4731	0.001	13	109.4727	0.001	24	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]C)(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]C)(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]H)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4673	0.041	7	109.4673	0.002	7	109.4727	0.001	24	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]C)(H)3	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]C)(H)3	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(CH3)2{1|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4808	0.034	4	109.4808	0.001	4	109.4727	0.001	24	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]C[5])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CC)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]C[5])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CC)(CH3){1|C<3>,2|O<1>,4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4880	0.020	3	109.4880	0.000	3	109.7124	1.144	24	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]C[5])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]C[5])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<3>,1|O<1>,1|S<1>,4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4897	0.023	3	109.8497	1.826	15	109.7124	1.144	24	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]C[5])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]C[5])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	H(CC[5,6]HH)	110.4133	2.116	6	109.8497	1.826	15	109.7124	1.144	24	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]C[5])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]C[5])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4687	0.042	3	109.8497	1.826	15	109.7124	1.144	24	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]C[5])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]C[5])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,5]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<3>,2|O<1>,4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4637	0.038	3	109.8497	1.826	15	109.7124	1.144	24	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]C[5])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]C[5])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	H(CC[5,6]HH)	109.4870	0.029	3	109.4870	0.001	3	109.7124	1.144	24	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6]C[5])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]2C[6])(C[5]C[5]CC)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5,6]C[5])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6]C[5]2C[6])(C[5]C[5]CC)(CH3){2|C<4>,2|O<1>,3|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4757	0.028	3	109.4757	0.001	3	109.7124	1.144	24	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[3,6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|O<2>,7|H<1>}	H(CC[5,6]HH)	109.4630	0.045	3	109.4630	0.002	3	109.4667	0.001	82	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>}	H(CC[5,6]HH)	109.4610	0.016	3	109.4610	0.000	3	109.4667	0.001	82	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]O[5]CH)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]O[5]CH)(C[6]C[6]CH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4513	0.035	3	109.4513	0.001	3	109.4667	0.001	82	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4590	0.017	2	109.4590	0.000	2	109.4667	0.001	82	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]O[5]HH)(C[6]C[6]HO)(CH3){3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4427	0.010	3	109.4427	0.000	3	109.4667	0.001	82	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){2|C<4>,2|O<2>,5|H<1>}	H(CC[5,6]HH)	109.4750	0.053	4	109.4750	0.003	4	109.4667	0.001	82	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(CC[5,6]HH)	109.5023	0.028	6	109.5023	0.001	6	109.4667	0.001	82	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4630	0.011	2	109.4630	0.000	2	109.4667	0.001	82	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4620	0.015	4	109.4620	0.000	4	109.4667	0.001	82	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	109.4592	0.030	5	109.4592	0.001	5	109.4667	0.001	82	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CH3){3|H<1>,4|C<4>}	H(CC[5,6]HH)	109.4591	0.032	14	109.4591	0.001	14	109.4667	0.001	82	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,5|C<4>}	H(CC[5,6]HH)	109.4560	0.027	6	109.4560	0.001	6	109.4667	0.001	82	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|I<1>,1|O<1>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4990	0.022	3	109.4827	0.001	8	109.4667	0.001	82	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4730	0.024	5	109.4827	0.001	8	109.4667	0.001	82	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|S<4>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4789	0.025	8	109.4789	0.001	8	109.4667	0.001	82	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	H(CC[5,6]HH)	109.4600	0.041	3	109.4600	0.002	3	109.4667	0.001	82	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]CC)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]CC)(C[6]C[6]CH)(CH3){2|C<4>,2|H<1>,2|O<1>}	H(CC[5,6]HH)	109.4595	0.039	8	109.4595	0.001	8	109.4667	0.001	82	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4727	0.062	3	109.4663	0.001	7	109.5816	0.077	10	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]SiH)(C[5]O[5]HH)(CH3){3|H<1>,4|C<4>}	H(CC[5,6]HH)	109.4615	0.008	4	109.4663	0.001	7	109.5816	0.077	10	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5]C[6]H)(C[5]C[5]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5]C[6]H)(C[5]C[5]CH)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(CC[5,6]HH)	109.8507	0.433	3	109.8507	0.188	3	109.5816	0.077	10	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]2)(H)3	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]2)(H)3	C[5,6](C[5,6]C[5,5,6]O[5]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	H(CC[5,6]HH)	109.4645	0.018	2	109.4645	0.000	2	109.4645	0.000	2	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5,5]C[3,5]O[5]2)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5,5]C[3,5]O[5]2)(C[6]C[6]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4787	0.038	3	109.4734	0.001	5	109.6589	0.724	63	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5,5]C[3,5]O[5]2)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5,5]C[3,5]O[5]2)(C[6]C[6]HH)(CH3){5|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4655	0.032	2	109.4734	0.001	5	109.6589	0.724	63	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4523	0.019	3	109.4523	0.000	3	109.6589	0.724	63	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5,5]2H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5,5]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4767	0.028	3	109.4767	0.001	3	109.6589	0.724	63	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(CC[5,6]HH)	110.4595	2.137	6	109.9464	1.727	25	109.6589	0.724	63	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,9|H<1>}	H(CC[5,6]HH)	109.8944	1.105	14	109.9464	1.727	25	109.6589	0.724	63	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]2O[5])(C[6]C[6]HH)(CH3){4|C<4>,9|H<1>}	H(CC[5,6]HH)	109.4766	0.039	5	109.9464	1.727	25	109.6589	0.724	63	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[5,6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[5,6]HH)(CH3){2|O<2>,4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4950	0.040	3	109.4950	0.002	3	109.6589	0.724	63	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4663	0.033	12	109.4670	0.001	24	109.6589	0.724	63	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,5]C[5]O[5]2)(C[6]C[6]HH)(CH3){4|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4677	0.042	12	109.4670	0.001	24	109.6589	0.724	63	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5,5]C[6]H)2(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5,5]C[6]H)2(CH3)2{2|C<3>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	112.8517	2.842	6	112.8517	8.077	6	109.8098	1.456	122	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2{1|C<4>,8|H<1>}	H(CC[5,6]HH)	109.4743	0.031	3	109.9787	1.764	41	109.8098	1.456	122	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4750	0.025	4	109.9787	1.764	41	109.8098	1.456	122	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2{1|O<1>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4772	0.020	6	109.9787	1.764	41	109.8098	1.456	122	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2{1|O<2>,2|O<1>,4|H<1>}	H(CC[5,6]HH)	110.6226	1.835	18	109.9787	1.764	41	109.8098	1.456	122	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2{1|S<4>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4758	0.025	4	109.9787	1.764	41	109.8098	1.456	122	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)2{2|O<2>,7|H<1>}	H(CC[5,6]HH)	109.4718	0.034	6	109.9787	1.764	41	109.8098	1.456	122	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<3>,1|P<4>,5|H<1>}	H(CC[5,6]HH)	109.4624	0.035	10	109.4730	0.002	69	109.8098	1.456	122	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4755	0.042	45	109.4730	0.002	69	109.8098	1.456	122	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<4>,2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4724	0.036	14	109.4730	0.002	69	109.8098	1.456	122	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]N[5a,6]C[5]C)(C[5,6]C[5]C[6]H)(CH3)2	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C)(H)3	C[5,6](C[5,6]N[5a,6]C[5]C)(C[5,6]C[5]C[6]H)(CH3)2{1|C<3>,1|N<2>,6|H<1>}	H(CC[5,6]HH)	109.4883	0.021	6	109.4883	0.000	6	109.8098	1.456	122	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[5,6]3)(H)3	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]3)(H)3	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(CH3){1|C<3>,3|O<2>,5|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4805	0.029	2	109.4805	0.001	2	109.4805	0.001	2	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]HH)(CH3){1|O<1>,4|H<1>,5|C<4>}	H(CC[5,6]HH)	110.3357	0.496	3	110.3357	0.246	3	109.8987	0.702	22	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6,6]C[5]O)(C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6,6]C[5]O)(C[5,6]C[6,6]C[5]O)(C[5]O[5]HH)(CH3){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(CC[5,6]HH)	109.4767	0.043	3	109.4767	0.002	3	109.8987	0.702	22	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,4|H<1>}	H(CC[5,6]HH)	110.5737	1.321	6	110.5737	1.746	6	109.8987	0.702	22	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]O)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3){1|O<1>,4|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4980	0.023	2	109.4980	0.001	2	109.8987	0.702	22	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4823	0.022	3	109.4823	0.000	3	109.8987	0.702	22	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HN)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HN)(CH3){1|N<3>,2|C<4>,4|C<3>}	H(CC[5,6]HH)	109.5040	0.020	3	109.5040	0.000	3	109.8987	0.702	22	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[6]N[5]H)(C[5]C[5]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[6]N[5]H)(C[5]C[5]HO)(CH3){1|O<2>,2|O<1>,4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4685	0.005	2	109.4685	0.000	2	109.8987	0.702	22	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5]C[6]O)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5]C[6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4820	0.041	2	109.4820	0.002	2	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4843	0.037	3	109.4843	0.001	3	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]CH)(CH3){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(CC[5,6]HH)	109.5108	0.023	5	109.5108	0.001	5	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4937	0.028	3	109.4785	0.002	6	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){6|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4633	0.054	3	109.4785	0.002	6	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4892	0.029	5	109.4892	0.001	5	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]O[6]H)(C[6]C[6]CH)(CH3){3|C<4>,5|H<1>}	H(CC[5,6]HH)	110.3802	1.924	5	110.3802	3.702	5	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	H(CC[5,6]HH)	109.4685	0.034	4	109.4733	0.002	10	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4780	0.070	3	109.4733	0.002	10	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,5|H<1>,6|C<4>}	H(CC[5,6]HH)	109.4750	0.026	3	109.4733	0.002	10	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4795	0.030	2	109.4888	0.000	5	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(CH3){1|N<2>,1|O<2>,4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4950	0.012	3	109.4888	0.000	5	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4673	0.027	3	109.4673	0.001	3	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4731	0.035	14	109.4731	0.001	14	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)(CH3){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(CC[5,6]HH)	109.4664	0.030	5	109.4664	0.001	5	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]O)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4460	0.025	3	109.4460	0.001	3	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4770	0.007	2	109.4770	0.000	2	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]O[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4530	0.029	3	109.4530	0.001	3	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,3|C<4>,9|H<1>}	H(CC[5,6]HH)	109.4780	0.006	4	109.4840	0.000	7	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,5|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4920	0.018	3	109.4840	0.000	7	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O[6])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O[6])(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	H(CC[5,6]HH)	109.4580	0.026	3	109.4580	0.001	3	109.5326	0.234	81	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]C[6a]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]C[6a]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4577	0.015	3	109.4577	0.000	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4630	0.045	3	109.4630	0.002	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[3,6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4513	0.012	3	109.4513	0.000	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4663	0.045	3	109.4663	0.002	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[3x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[3x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4975	0.052	4	109.4975	0.003	4	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(CC[5,6]HH)	109.4687	0.025	3	109.4687	0.001	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5,6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5,6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4700	0.073	3	109.4700	0.005	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5]C[6,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5]C[6,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.5023	0.032	3	109.5023	0.001	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(CC[5,6]HH)	109.4870	0.059	3	109.4870	0.004	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5,6]HH)	110.3220	0.286	3	110.3220	0.082	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(CC[5,6]HH)	109.4853	0.057	6	109.4803	0.002	8	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(CC[5,6]HH)	109.4650	0.004	2	109.4803	0.002	8	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4830	0.948	3	109.4830	0.898	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4740	0.056	3	109.4740	0.003	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]HO)(C[6]C[6]HO)(CH3){2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4760	0.000	1	109.4760	0.000	1	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4715	0.008	2	109.4715	0.000	2	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]HO)(CH3){1|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4547	0.032	3	109.4547	0.001	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]S[6]CH)(CH3){1|C<4>,2|O<1>,3|H<1>}	H(CC[5,6]HH)	109.4673	0.036	3	109.4673	0.001	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.5010	0.000	1	109.5010	0.000	1	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CH)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4913	0.060	3	109.4913	0.004	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]HH)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]CO)(C[5]O[5]HH)(C[6]C[6]CH)(CH3){2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4893	0.037	3	109.4893	0.001	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(CC[5,6]HH)	110.1000	1.613	5	109.6392	0.658	19	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4726	0.017	8	109.6392	0.658	19	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4723	0.020	3	109.6392	0.658	19	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4820	0.013	3	109.6392	0.658	19	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4708	0.025	6	109.4708	0.001	6	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	H(CC[5,6]HH)	109.9282	1.455	9	110.1190	2.936	15	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	110.4052	2.160	6	110.1190	2.936	15	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(CC[5,6]HH)	109.4848	0.037	5	109.4848	0.001	5	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6,6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6,6]HH)(CH3){1|O<1>,2|C<4>,3|C<3>}	H(CC[5,6]HH)	109.4892	0.031	5	109.4892	0.001	5	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]O)(C[6]N[6]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(CC[5,6]HH)	109.4563	0.075	3	109.4563	0.006	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CH3){2|C<3>,2|C<4>}	H(CC[5,6]HH)	109.4410	0.018	3	109.4410	0.000	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5,6]HH)	109.5050	0.045	3	109.4840	0.003	15	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.5007	0.024	3	109.4840	0.003	15	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4714	0.061	9	109.4840	0.003	15	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4820	0.006	2	109.4916	0.000	5	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|N<2>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4980	0.016	3	109.4916	0.000	5	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,6|H<1>}	H(CC[5,6]HH)	109.4590	0.025	3	109.4575	0.001	8	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	H(CC[5,6]HH)	109.4566	0.027	5	109.4575	0.001	8	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4303	0.025	3	109.4303	0.001	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4693	0.028	3	109.4693	0.001	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2C)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2C)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4580	0.007	2	109.4580	0.000	2	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4586	0.036	36	109.5217	0.130	72	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(CC[5,6]HH)	110.8137	1.403	3	109.5217	0.130	72	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(CC[5,6]HH)	109.4517	0.065	3	109.5217	0.130	72	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,6|H<1>}	H(CC[5,6]HH)	109.4681	0.015	10	109.5217	0.130	72	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	H(CC[5,6]HH)	109.4826	0.022	5	109.5217	0.130	72	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4610	0.032	3	109.5217	0.130	72	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4897	0.023	3	109.5217	0.130	72	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4630	0.037	3	109.5217	0.130	72	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4958	0.037	4	109.5217	0.130	72	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4700	0.028	2	109.5217	0.130	72	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4705	0.025	4	109.4705	0.001	4	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(CC[5,6]HH)	109.4700	0.000	1	108.8494	2.498	15	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|O<1>,3|H<1>}	H(CC[5,6]HH)	109.4483	0.024	3	108.8494	2.498	15	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|N<3>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	106.4113	2.516	3	108.8494	2.498	15	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4615	0.051	8	108.8494	2.498	15	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4853	0.058	3	109.4853	0.003	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	111.7283	0.838	3	110.0884	1.250	11	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,7|H<1>}	H(CC[5,6]HH)	109.4730	0.023	3	110.0884	1.250	11	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,8|H<1>}	H(CC[5,6]HH)	109.4660	0.017	2	110.0884	1.250	11	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<3>,7|H<1>}	H(CC[5,6]HH)	109.4787	0.031	3	110.0884	1.250	11	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]O)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O[5]O)(C[6]C[6]HO)(CH3){3|C<3>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	112.2847	2.686	3	112.2847	7.213	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(CC[5,6]HH)	109.4838	0.031	4	109.4838	0.001	4	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(CC[5,6]HH)	109.5205	0.009	2	109.5205	0.000	2	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,7|H<1>}	H(CC[5,6]HH)	109.4820	0.000	1	109.4820	0.000	1	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(CC[5,6]HH)	110.3280	1.663	3	110.3280	2.766	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4495	0.021	4	109.4647	0.002	19	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4767	0.069	3	109.4647	0.002	19	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4520	0.017	3	109.4647	0.002	19	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4645	0.036	6	109.4647	0.002	19	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,6|H<1>}	H(CC[5,6]HH)	109.4860	0.085	3	109.4647	0.002	19	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5,6]HH)	109.4467	0.019	3	109.5145	0.683	117	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(CC[5,6]HH)	109.4210	0.059	2	109.5145	0.683	117	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(CC[5,6]HH)	109.4650	0.006	2	109.5145	0.683	117	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4747	0.062	45	109.5145	0.683	117	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4738	0.025	5	109.5145	0.683	117	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4140	0.000	1	109.5145	0.683	117	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4780	0.033	22	109.5145	0.683	117	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4655	0.036	6	109.5145	0.683	117	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,2|O<1>,3|H<1>}	H(CC[5,6]HH)	109.4715	0.010	4	109.5145	0.683	117	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,2|O<2>,5|H<1>}	H(CC[5,6]HH)	109.4830	0.009	3	109.5145	0.683	117	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.6792	1.843	24	109.5145	0.683	117	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(CC[5,6]HH)	109.5075	0.008	2	109.5075	0.000	2	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4995	0.045	6	109.4906	0.002	9	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]C[6]H)(C[6]C[6]HH)(CH3){4|C<4>,8|H<1>}	H(CC[5,6]HH)	109.4727	0.032	3	109.4906	0.002	9	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3]C[5]O)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3]C[5]O)(C[6]C[6]HH)(CH3){1|S<2>,3|C<4>,8|H<1>}	H(CC[5,6]HH)	109.4907	0.027	3	109.4907	0.001	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,8|H<1>}	H(CC[5,6]HH)	109.4824	0.040	5	109.4694	0.002	7	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4370	0.008	2	109.4694	0.002	7	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CC)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4803	0.020	3	109.4803	0.000	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|F<1>,6|H<1>}	H(CC[5,6]HH)	109.4674	0.041	7	109.5462	0.587	560	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(CC[5,6]HH)	109.5657	0.073	6	109.5462	0.587	560	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4793	0.028	14	109.5462	0.587	560	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4617	0.036	21	109.5462	0.587	560	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4710	0.050	3	109.5462	0.587	560	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	107.7536	8.243	3	109.5462	0.587	560	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4800	0.039	13	109.5462	0.587	560	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4443	0.039	6	109.5462	0.587	560	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4719	0.028	27	109.5462	0.587	560	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	110.7330	0.978	3	109.5462	0.587	560	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4903	0.028	3	109.5462	0.587	560	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.5564	0.587	444	109.5462	0.587	560	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.9746	1.529	10	109.5462	0.587	560	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HN)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HN)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4770	0.042	6	109.4770	0.002	6	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(CC[5,6]HH)	110.8122	1.916	5	109.6486	0.870	343	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.5247	0.193	3	109.6486	0.870	343	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.6324	0.909	335	109.6486	0.870	343	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|Br<1>,1|O<1>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4705	0.067	2	109.7106	1.288	350	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|Br<1>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4663	0.044	7	109.7106	1.288	350	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4912	1.399	5	109.7106	1.288	350	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4528	0.029	6	109.7106	1.288	350	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4310	0.025	2	109.7106	1.288	350	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,6|H<1>}	H(CC[5,6]HH)	109.4793	0.641	6	109.7106	1.288	350	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4877	0.032	12	109.7106	1.288	350	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4847	0.030	4	109.7106	1.288	350	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4705	0.022	14	109.7106	1.288	350	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.7437	0.925	29	109.7106	1.288	350	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,2|O<2>,5|H<1>}	H(CC[5,6]HH)	110.7398	2.816	6	109.7106	1.288	350	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4048	2.617	6	109.7106	1.288	350	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.7442	1.151	251	109.7106	1.288	350	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]C[6]H)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]C[6]H)(C[6]C[6]HO)(CH3){4|C<4>,8|H<1>}	H(CC[5,6]HH)	110.9317	1.367	3	110.9317	1.869	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4805	0.005	2	109.8001	1.904	28	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4782	0.056	9	109.8001	1.904	28	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(CC[5,6]HH)	109.2017	1.715	3	109.8001	1.904	28	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	111.1703	2.486	6	109.8001	1.904	28	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4389	0.107	8	109.8001	1.904	28	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4835	0.036	6	109.4835	0.001	6	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HI)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HI)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4737	0.072	9	109.4737	0.005	9	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4780	0.025	16	109.7753	2.064	191	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4732	0.048	10	109.7753	2.064	191	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4287	0.031	3	109.7753	2.064	191	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.8647	1.622	148	109.7753	2.064	191	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4603	0.035	14	109.7753	2.064	191	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(CC[5,6]HH)	109.4922	0.020	5	109.4922	0.000	5	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4690	0.015	3	109.4690	0.000	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,3|C<4>}	H(CC[5,6]HH)	109.4776	0.039	13	109.4776	0.001	13	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4960	0.028	3	109.4721	0.001	29	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4693	0.035	26	109.4721	0.001	29	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]2H)(C[6]C[6]HO)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4663	0.015	3	109.4663	0.000	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(CC[5,6]HH)	111.4377	0.963	3	109.7311	2.121	22	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4645	1.583	14	109.7311	2.121	22	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4620	0.021	2	109.7311	2.121	22	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4480	0.021	3	109.7311	2.121	22	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4638	0.023	5	109.4638	0.001	5	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4377	0.023	3	109.4612	0.002	6	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CO)(C[6]C[6]HO)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4847	0.049	3	109.4612	0.002	6	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(CC[5,6]HH)	109.4790	0.024	2	110.3704	1.301	7	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,7|H<1>}	H(CC[5,6]HH)	110.7270	1.181	5	110.3704	1.301	7	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4737	0.062	3	109.4737	0.004	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4766	0.009	5	109.4726	0.017	10	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4686	0.194	5	109.4726	0.017	10	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4438	0.017	6	109.4438	0.000	6	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4228	0.049	6	109.4228	0.002	6	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]CO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]CO)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4487	0.021	3	109.4487	0.000	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){2|C<3>,6|H<1>}	H(CC[5,6]HH)	109.4533	0.033	3	109.4533	0.001	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]HH)(CH3){1|S<4>,3|C<3>}	H(CC[5,6]HH)	109.4700	0.069	3	109.4700	0.005	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HO)(C[6]C[6]HH)(CH3){2|C<3>,4|H<1>}	H(CC[5,6]HH)	109.4807	0.033	6	109.4807	0.001	6	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]CC)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]CC)(CH3){2|C<4>,2|H<1>,2|O<1>}	H(CC[5,6]HH)	108.4570	3.336	3	108.4570	11.132	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4680	0.009	3	109.4680	0.000	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(CC[5,6]HH)	109.4354	0.028	5	109.4354	0.001	5	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]BrH)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]BrH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5,6]HH)	109.4900	0.000	1	109.4900	0.000	1	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5,6]HH)	109.4865	0.015	2	109.4865	0.000	2	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(C[6]O[6]HH)(CH3){2|H<1>,3|C<3>}	H(CC[5,6]HH)	109.4537	0.026	3	109.4537	0.001	3	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Br<1>,1|C<4>,1|O<1>,3|H<1>}	H(CC[5,6]HH)	109.4796	0.035	9	109.4718	0.001	24	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|I<1>,1|O<1>,3|H<1>}	H(CC[5,6]HH)	109.4663	0.040	13	109.4718	0.001	24	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>}	H(CC[5,6]HH)	109.4730	0.016	2	109.4718	0.001	24	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]SiH)(C[6]C[6]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]SiH)(C[6]C[6]CH)(CH3){2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4820	0.008	2	109.4820	0.000	2	109.6140	0.895	2103	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[3,5]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4407	0.025	3	109.4407	0.001	3	109.4531	0.001	7	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,6a]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4625	0.019	4	109.4625	0.000	4	109.4531	0.001	7	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4787	0.047	3	109.4787	0.002	3	109.8503	1.675	54	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]O[5]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]HH)(C[5]O[5]HO)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4528	0.024	5	109.4528	0.001	5	109.8503	1.675	54	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]CH)(C[5]C[5]HH)(CH3){1|O<2>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4607	0.014	3	109.4607	0.000	3	109.8503	1.675	54	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]HH)(C[5]C[5]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[3,6]HH)(C[5]C[5]CH)(CH3){1|O<2>,2|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4713	0.015	3	109.4713	0.000	3	109.8503	1.675	54	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4823	0.030	3	109.4782	0.001	5	109.8503	1.675	54	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4720	0.013	2	109.4782	0.001	5	109.8503	1.675	54	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3){2|C<4>,7|H<1>}	H(CC[5,6]HH)	110.3840	1.593	18	110.3840	2.539	18	109.8503	1.675	54	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5a]O[6]H)(C[5]C[5]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[5a]O[6]H)(C[5]C[5]HO)(CH3){1|C<4>,3|H<1>,4|C<3>}	H(CC[5,6]HH)	110.8193	4.053	3	110.8193	16.426	3	109.8503	1.675	54	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[3,6]HH)(C[5]C[5]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[3,6]HH)(C[5]C[5]CH)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(CC[5,6]HH)	109.4610	0.013	2	109.4610	0.000	2	109.8503	1.675	54	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[4,6]HH)(C[5]C[5]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[4,6]HH)(C[5]C[5]CH)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5,6]HH)	109.4753	0.045	3	109.4753	0.002	3	109.8503	1.675	54	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HO)(C[5]O[5]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]HO)(C[5]O[5]CH)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CC[5,6]HH)	109.5367	0.010	3	109.5367	0.000	3	109.8503	1.675	54	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(CC[5,6]HH)	109.4730	0.000	1	109.4730	0.000	1	109.8503	1.675	54	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(CC[5,6]HH)	109.4197	0.135	3	109.4197	0.018	3	109.8503	1.675	54	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(CC[5,6]HH)	109.4855	0.032	2	109.4855	0.001	2	109.8503	1.675	54	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6,6])(H)3	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6,6])(H)3	C[5,6](C[6,6]C[5,6,6]C[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	H(CC[5,6]HH)	109.4510	0.063	3	109.4510	0.004	3	109.4636	0.002	5	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[3,5]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[3,5]C[5,6]C[6,6])(H)3	C[5,6](C[6,6]C[5,6,6]O[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[3,5]C[5,6]C[6,6])(H)3	C[5,6](C[6,6]C[5,6,6]O[6]H)(C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	H(CC[5,6]HH)	109.4825	0.009	2	109.4825	0.000	2	109.4636	0.002	5	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4740	0.042	3	109.6751	1.632	43	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4383	0.053	3	109.6751	1.632	43	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4755	0.023	2	109.6751	1.632	43	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,5|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4663	0.058	10	109.6751	1.632	43	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){5|C<4>,7|H<1>}	H(CC[5,6]HH)	109.8272	1.672	25	109.6751	1.632	43	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){1|O<2>,5|C<4>,6|H<1>}	H(CC[5,6]HH)	113.4080	4.869	3	110.7724	9.833	9	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){5|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4547	0.031	6	110.7724	9.833	9	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4757	0.019	3	109.4757	0.000	3	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4965	0.080	2	109.4754	0.003	97	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,8|H<1>}	H(CC[5,6]HH)	109.4775	0.015	2	109.4754	0.003	97	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<1>,3|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4933	0.044	6	109.4754	0.003	97	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4777	0.063	58	109.4754	0.003	97	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){4|C<4>,8|H<1>}	H(CC[5,6]HH)	109.4655	0.041	29	109.4754	0.003	97	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]CH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(CC[5,6]HH)	109.4914	0.043	5	109.4914	0.002	5	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4612	0.016	6	109.4641	0.001	22	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(CC[5,6]HH)	109.4743	0.012	3	109.4641	0.001	22	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4945	0.013	2	109.4641	0.001	22	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4307	0.016	3	109.4641	0.001	22	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	H(CC[5,6]HH)	109.4674	0.047	8	109.4641	0.001	22	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(CH3){1|C<3>,1|N<3>,4|H<1>,6|C<4>}	H(CC[5,6]HH)	109.4847	0.069	3	109.4847	0.005	3	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(CC[5,6]HH)	109.7590	0.799	3	109.5236	0.126	13	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,4|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4462	0.053	6	109.5236	0.126	13	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|N<2>,4|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4330	0.000	1	109.5236	0.126	13	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,6|H<1>}	H(CC[5,6]HH)	109.4733	0.017	3	109.5236	0.126	13	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4833	0.054	3	109.4833	0.003	3	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	H(CC[5,6]HH)	109.4697	0.069	3	109.4697	0.005	3	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|C<2>,4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4727	0.022	3	109.4693	0.000	8	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:1:1:1:	4:4:4:4:	4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3)	H(CC[5,6]HH)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CH3){1|C<3>,4|C<4>,5|H<1>}	H(CC[5,6]HH)	109.4672	0.013	5	109.4693	0.000	8	109.5745	0.788	209	109.6081	0.800	3450	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	2:4:2:4:	4:	C[5,6]-4:C-2:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(CN)(H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CCHH)	H(CC[5,6]CH)	C(C[5,6]O[5,6]C[6]O[5])(CN)(H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CCHH){1|C<4>,3|H<1>}	H(CC[5,6]CH)	108.9450	0.076	2	108.9450	0.006	2	108.9450	0.006	2	108.9450	0.006	2	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	2:4:3:4:	4:	C[5,6]-4:O-2:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(OSi)(H)2	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(CHHO)	H(CC[5,6]HO)	C(C[5,6]O[5,6]C[5]C[6])(OSi)(H)2	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]HO)	109.0020	0.013	2	109.0020	0.000	2	109.0020	0.000	2	109.0020	0.000	2	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	2:4:4:4:	4:	C[5,6]-4:C-2:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(CC)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]O[5,6]C[5]C[6])(CC)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<2>,1|O<2>,4|H<1>}	H(CC[5,6]CH)	109.3300	0.007	2	109.3300	0.000	2	109.3300	0.000	2	109.4622	0.052	6	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	2:4:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(OC)(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(CHHO)	H(CC[5,6]HO)	C(C[5,6]O[5,6]C[5]C[6])(OC)(H)2	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(CHHO){1|C<4>,1|O<2>,2|H<1>}	H(CC[5,6]HO)	109.7530	0.044	2	109.7530	0.002	2	109.7530	0.002	2	109.4622	0.052	6	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	2:4:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	O[5,6]-2:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(OSi)(H)2	C[5,6](O[5,6]C[5,6,6])(C[6]C[5,6]BrH)(C[5]C[5,6]HH)(CHHO)	H(CC[5,6]HO)	C(C[5,6]O[5,6]C[5]C[6])(OSi)(H)2	C[5,6](O[5,6]C[5,6,6])(C[6]C[5,6]BrH)(C[5]C[5,6]HH)(CHHO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(CC[5,6]HO)	109.3035	0.033	2	109.3035	0.001	2	109.3035	0.001	2	109.4622	0.052	6	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	3:3:3:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]2)(OC)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6a]C[5,6]2)(OC)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(CHHO){1|H<1>,2|O<2>,8|C<3>}	H(CC[5,6]HO)	110.1955	0.025	2	110.1955	0.001	2	110.1955	0.001	2	109.9052	0.113	4	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	3:3:3:4:	4:	C[5,6]-4:O-2:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:C-4:	C-4:	C(C[5,6]N[5,6]C[6]N[5])(OH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]C)(CHHO)	H(CC[5,6]HO)	C(C[5,6]N[5,6]C[6]N[5])(OH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]C)(CHHO){1|C<4>,2|O<1>,3|H<1>}	H(CC[5,6]HO)	109.6150	0.016	2	109.6150	0.000	2	109.6150	0.000	2	109.9052	0.113	4	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	3:3:4:4:	4:	C[5,6]-4:C-2:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)(CCHH){3|C<3>,3|H<1>}	H(CC[5,6]CH)	108.1595	1.719	2	108.1595	2.955	2	108.1595	2.955	2	108.6137	1.260	4	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	3:3:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5a,6]N[5,6]C[5])(OH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5a,6]N[5,6]C[5])(OH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CHHO){1|C<4>,3|C<3>,5|H<1>}	H(CC[5,6]HO)	109.0680	0.030	2	109.0680	0.001	2	109.0680	0.001	2	108.6137	1.260	4	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	3:4:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]O[6])(OH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6a]C[5,6]O[6])(OH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO){1|C<4>,2|H<1>,4|C<3>}	H(CC[5,6]HO)	109.2963	0.080	6	109.2963	0.006	6	109.4534	0.178	7	109.4534	0.178	7	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	3:4:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]O[6])(OS)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6a]C[5,6]O[6])(OS)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(O[6]C[6,6a])(CHHO){1|C<4>,2|H<1>,4|C<3>}	H(CC[5,6]HO)	110.3960	0.000	1	110.3960	0.000	1	109.4534	0.178	7	109.4534	0.178	7	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6]-4:C-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<4>,7|H<1>}	H(CC[5,6]CH)	109.0820	0.094	4	109.0820	0.009	4	109.0820	0.009	4	109.4518	0.855	21	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(OH)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]2C[6])(OH)(H)2	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,5|C<4>}	H(CC[5,6]HO)	109.8235	0.025	2	109.8235	0.001	2	109.8235	0.001	2	109.4518	0.855	21	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO){1|C<3>,1|C<4>,4|H<1>}	H(CC[5,6]HO)	109.8245	0.029	2	109.8245	0.001	2	109.8245	0.001	2	109.4518	0.855	21	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	N[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]N[5,6]C[6])(OH)(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]O)(C[6]C[5a,6]HH)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]N[5,6]C[6])(OH)(H)2	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]O)(C[6]C[5a,6]HH)(CHHO){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(CC[5,6]HO)	108.9270	0.200	4	108.9270	0.040	4	108.9270	0.040	4	109.4518	0.855	21	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(OC)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CC)(CHHO)	H(CC[5,6]HO)	C(C[5,6]N[5,6]C[5]C[6])(OC)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CC)(CHHO){1|C<4>,2|C<3>,5|H<1>}	H(CC[5,6]HO)	109.0293	0.290	7	109.0293	0.084	7	109.6840	1.782	9	109.4518	0.855	21	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	3:4:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(OH)(H)2	C[5,6](N[5,6]C[5,6]H)(C[5]O[5]HH)(C[6]O[6]HH)(CHHO)	H(CC[5,6]HO)	C(C[5,6]N[5,6]C[5]C[6])(OH)(H)2	C[5,6](N[5,6]C[5,6]H)(C[5]O[5]HH)(C[6]O[6]HH)(CHHO){1|C<3>,1|C<4>}	H(CC[5,6]HO)	111.9755	0.499	2	111.9755	0.249	2	109.6840	1.782	9	109.4518	0.855	21	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:2:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6]O[5]O[6])(OH)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]B[5])(O[6]C[6])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]O[5]O[6])(OH)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]B[5])(O[6]C[6])(CHHO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[5,6]HO)	109.2395	0.026	2	109.2395	0.001	2	109.8762	0.187	8	108.9607	4.042	10	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:2:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6]O[5]O[6])(OS)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]O[5]O[6])(OS)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CHHO){1|O<2>,3|C<4>,3|H<1>}	H(CC[5,6]HO)	110.0885	0.214	6	110.0885	0.046	6	109.8762	0.187	8	108.9607	4.042	10	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:2:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[6]-4:O[5,6]-2:O[5]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(CHHO)	H(CC[5,6]HO)	C(C[5,6]O[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(CHHO){1|C<4>,1|O<2>,4|H<1>}	H(CC[5,6]HO)	105.2985	1.240	2	105.2985	1.537	2	105.2985	1.537	2	108.9607	4.042	10	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:2:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HO)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HO)(CHHO){3|C<3>,3|H<1>}	H(CC[5,6]HO)	108.5315	0.012	2	108.5315	0.000	2	108.5315	0.000	2	108.5315	0.000	2	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:3:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|H<1>,1|O<2>,3|C<4>}	H(CC[5,6]HO)	110.0960	0.344	2	108.9324	2.364	8	109.0061	1.863	10	109.0061	1.863	10	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:3:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	H(CC[5,6]HO)	108.5445	1.601	6	108.9324	2.364	8	109.0061	1.863	10	109.0061	1.863	10	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:3:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OSi)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OSi)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(CHHO){2|H<1>,4|C<4>}	H(CC[5,6]HO)	109.3010	0.013	2	109.3010	0.000	2	109.0061	1.863	10	109.0061	1.863	10	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:3:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHHO)(CH3)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHHO)(CH3){2|C<4>,4|H<1>}	H(CC[5,6]HO)	108.8238	0.705	6	108.8238	0.497	6	108.8238	0.497	6	109.3057	0.672	10	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:3:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C[6a])(OH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CC)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]C[6a])(OH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]CC)(CHHO){2|C<3>,3|C<4>,3|H<1>}	H(CC[5,6]HO)	110.0285	0.161	4	110.0285	0.026	4	110.0285	0.026	4	109.3057	0.672	10	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]O[6])(OH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(O[6]C[6])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6,6]C[5]O[6])(OH)(H)2	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(O[6]C[6])(CHHO){1|O<1>,2|C<4>,6|H<1>}	H(CC[5,6]HO)	109.5570	0.000	1	109.5570	0.000	1	109.5570	0.000	1	109.0637	1.829	69	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CHHO){3|C<4>}	H(CC[5,6]HO)	107.8905	3.970	2	107.8905	15.764	2	107.8905	15.764	2	109.0637	1.829	69	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OC)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]HO)(O[5]C[5])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OC)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]HO)(O[5]C[5])(CHHO){1|H<1>,1|O<1>,4|C<4>}	H(CC[5,6]HO)	109.8190	0.038	2	109.8190	0.001	2	109.0918	1.624	66	109.0637	1.829	69	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	H(CC[5,6]HO)	109.0415	0.006	2	109.0415	0.000	2	109.0918	1.624	66	109.0637	1.829	69	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO){1|C<3>,2|H<1>,3|C<4>}	H(CC[5,6]HO)	109.4855	0.098	4	109.4855	0.010	4	109.0918	1.624	66	109.0637	1.829	69	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	H(CC[5,6]HO)	109.0050	0.000	1	109.1192	1.979	40	109.0918	1.624	66	109.0637	1.829	69	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	H(CC[5,6]HO)	109.1381	1.462	37	109.1192	1.979	40	109.0918	1.624	66	109.0637	1.829	69	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<4>,2|H<1>,3|C<3>}	H(CC[5,6]HO)	108.8270	0.035	2	109.1192	1.979	40	109.0918	1.624	66	109.0637	1.829	69	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(CHHO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(CC[5,6]HO)	108.8025	0.009	4	108.8025	0.000	4	109.0918	1.624	66	109.0637	1.829	69	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO){1|N<3>,1|S<2>,2|H<1>}	H(CC[5,6]HO)	106.2285	2.507	2	107.7480	5.173	4	109.0918	1.624	66	109.0637	1.829	69	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO){2|H<1>,2|N<3>,2|O<1>}	H(CC[5,6]HO)	109.2675	0.030	2	107.7480	5.173	4	109.0918	1.624	66	109.0637	1.829	69	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO){1|C<4>,1|N<3>,5|H<1>}	H(CC[5,6]HO)	109.3053	0.644	8	109.3053	0.414	8	109.0918	1.624	66	109.0637	1.829	69	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:2:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(OS)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[6]O[5])(OS)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,4|C<4>}	H(CC[5,6]HO)	109.4915	0.021	2	109.4915	0.000	2	109.0918	1.624	66	109.0637	1.829	69	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:3:4:	4:	C[5,6]-4:C-2:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6]N[5])(CN)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[6]N[5])(CN)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(CCHH){3|C<4>,6|H<1>}	H(CC[5,6]CH)	109.0455	0.047	2	109.0455	0.002	2	109.0455	0.002	2	109.1977	0.323	12	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:3:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,5|H<1>}	H(CC[5,6]HO)	108.5770	0.105	2	108.5090	0.010	4	109.1264	0.440	8	109.1977	0.323	12	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:3:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO){1|C<3>,6|H<1>}	H(CC[5,6]HO)	108.4410	0.030	2	108.5090	0.010	4	109.1264	0.440	8	109.1977	0.323	12	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:3:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(C[6]N[6]O)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(C[6]N[6]O)(CHHO){2|C<4>,2|H<1>,3|C<3>}	H(CC[5,6]HO)	109.7438	0.028	4	109.7438	0.001	4	109.1264	0.440	8	109.1977	0.323	12	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:3:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CHHO){1|C<3>,1|O<1>,5|H<1>}	H(CC[5,6]HO)	109.6355	0.035	2	109.6355	0.001	2	109.6355	0.001	2	109.1977	0.323	12	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:Br-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]Br)(OH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CHHO)(Br)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]Br)(OH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CHHO)(Br){1|C<3>,2|H<1>}	H(CC[5,6]HO)	108.7872	0.113	6	108.7872	0.013	6	108.7872	0.013	6	110.2867	3.857	74	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H){2|Cl<1>,1|C<3>,2|O<2>}	H(CC[5,6]HO)	109.7503	2.675	8	110.2034	4.876	23	110.5054	4.017	46	110.2867	3.857	74	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CHHO)(H){4|Cl<1>,1|C<3>}	H(CC[5,6]HO)	110.4451	1.976	15	110.2034	4.876	23	110.5054	4.017	46	110.2867	3.857	74	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,4|H<1>}	H(CC[5,6]HO)	110.5103	0.034	3	110.5103	0.001	3	110.5054	4.017	46	110.2867	3.857	74	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,2|H<1>}	H(CC[5,6]HO)	113.6230	2.090	4	112.5742	5.260	6	110.5054	4.017	46	110.2867	3.857	74	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(OC)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5,6]HO)	110.4765	0.006	2	112.5742	5.260	6	110.5054	4.017	46	110.2867	3.857	74	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]CH)(CHHO)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	H(CC[5,6]HO)	111.2770	1.415	4	111.2770	2.002	4	110.5054	4.017	46	110.2867	3.857	74	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHO)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[5,6]HO)	109.9020	0.000	1	109.9020	0.000	1	110.5054	4.017	46	110.2867	3.857	74	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,2|H<1>}	H(CC[5,6]HO)	109.1060	0.040	2	109.1060	0.002	2	110.5054	4.017	46	110.2867	3.857	74	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5,6]HO)	109.1250	0.014	2	109.0790	0.006	3	110.5054	4.017	46	110.2867	3.857	74	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5,6]HO)	108.9870	0.000	1	109.0790	0.006	3	110.5054	4.017	46	110.2867	3.857	74	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(OS)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5,6]H)(OS)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,4|H<1>}	H(CC[5,6]HO)	110.2837	0.380	4	110.2837	0.144	4	110.5054	4.017	46	110.2867	3.857	74	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]P[5,5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]P[5,5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(CC[5,6]HO)	109.5613	2.800	4	109.3307	4.839	6	110.7359	6.466	12	110.2867	3.857	74	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]P[5,5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]P[5,5,6]H)(OH)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	H(CC[5,6]HO)	108.8695	0.176	2	109.3307	4.839	6	110.7359	6.466	12	110.2867	3.857	74	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]P[5,5,6]H)(OP)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]P[5,5,6]H)(OP)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	H(CC[5,6]HO)	112.1412	2.156	6	112.1412	4.647	6	110.7359	6.466	12	110.2867	3.857	74	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,6,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(CHHO)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,6,6]C[5,6]H)(OH)(H)2	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5,6]C[5]C[6]H)(CHHO)(H){1|C<3>,2|C<4>,7|H<1>}	H(CC[5,6]HO)	109.5387	0.241	4	109.5387	0.058	4	109.5387	0.058	4	110.2867	3.857	74	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,6]2H)(OC)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CHHO)(H)	H(CC[5,6]HO)	C(C[5,6]C[5,6]2H)(OC)(H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CHHO)(H){3|C<4>,4|H<1>}	H(CC[5,6]HO)	109.4235	0.011	2	109.4235	0.000	2	109.4235	0.000	2	110.2867	3.857	74	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	P[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]P[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(CC[5,6]HO)	C(C[5,6]P[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	H(CC[5,6]HO)	110.9070	1.353	2	109.8522	2.273	4	109.8522	2.273	4	110.2867	3.857	74	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:1:	4:	C[5,6]-4:O-2:H-1:H-1:	P[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]P[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H)	H(CC[5,6]HO)	C(C[5,6]P[5,5,6]C[5,6]H)(OH)(H)2	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	H(CC[5,6]HO)	108.7975	0.733	2	109.8522	2.273	4	109.8522	2.273	4	110.2867	3.857	74	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:2:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C-4:	C(C[5,6]C[5,6]2O)(OC)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CHHO)(OC)	H(CC[5,6]HO)	C(C[5,6]C[5,6]2O)(OC)(H)2	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)(CHHO)(OC){1|O<1>,2|H<1>,3|C<3>}	H(CC[5,6]HO)	109.6500	0.048	2	109.6500	0.002	2	109.6500	0.002	2	109.6500	0.002	2	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:3:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C-4:C-3:	C-4:	C(C[5,6]C[5,5,6,6]C[5,6]C)(OC)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(CHHO)(COO)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6,6]C[5,6]C)(OC)(H)2	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(CHHO)(COO){1|C<3>,2|C<4>,3|H<1>}	H(CC[5,6]HO)	110.2895	0.005	2	110.2895	0.000	2	110.2895	0.000	2	109.4656	0.593	5	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:3:	4:	C[5,6]-4:S-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(SC[6a])(H)2	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(CHHS)(COO)	H(CC[5,6]HS)	C(C[5,6]C[5,5,6]C[5,6]C)(SC[6a])(H)2	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]C[6a]H)(CHHS)(COO){1|C<4>,3|C<3>}	H(CC[5,6]HS)	109.0490	0.074	2	109.0490	0.005	2	108.9163	0.056	3	109.4656	0.593	5	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:3:	4:	C[5,6]-4:S-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(SC[6a])(H)2	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(CHHS)(COO)	H(CC[5,6]HS)	C(C[5,6]C[5,5,6]C[5,6]C)(SC[6a])(H)2	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]HH)(CHHS)(COO){1|C<3>,1|C<4>}	H(CC[5,6]HS)	108.6510	0.000	1	108.6510	0.000	1	108.9163	0.056	3	109.4656	0.593	5	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:C-2:H-1:H-1:	C[3,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[3,5,6]C[5]C[6])(CC)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[3,5,6]C[5]C[6])(CC)(H)2	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<3>,9|H<1>}	H(CC[5,6]CH)	109.0280	0.021	2	109.0280	0.000	2	109.0280	0.000	2	109.0720	1.698	42	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[3,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[3,6]C[5,6]C[5])(OH)(H)2	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[3,6]C[5,6]C[5])(OH)(H)2	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(CHHO){1|O<2>,2|C<4>,3|H<1>}	H(CC[5,6]HO)	108.9125	0.028	2	108.9125	0.001	2	108.9125	0.001	2	109.0720	1.698	42	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[3x5,6]C[5,6,6]C)(OH)(H)2	C[5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(CHHO)2	H(CC[5,6]HO)	C(C[5,6]C[3x5,6]C[5,6,6]C)(OH)(H)2	C[5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]H)(CHHO)2{5|C<4>,5|H<1>}	H(CC[5,6]HO)	109.2335	0.169	4	109.2335	0.028	4	109.2335	0.028	4	109.0720	1.698	42	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]O[6]HH)(CHHO){2|C<3>,3|C<4>,4|H<1>}	H(CC[5,6]HO)	108.7290	0.037	2	108.7290	0.001	2	108.7290	0.001	2	109.0720	1.698	42	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]2C)(OH)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CCHH)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]2C)(OH)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CCHH)(CHHO){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5,6]HO)	108.6525	0.011	2	108.6525	0.000	2	108.6525	0.000	2	109.0720	1.698	42	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	H(CC[5,6]HO)	109.5667	0.243	4	109.5667	0.059	4	109.5667	0.059	4	109.0720	1.698	42	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(OC)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]2C[6])(OC)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	H(CC[5,6]HO)	109.9430	0.069	2	109.9916	0.004	7	109.9148	0.026	9	109.0720	1.698	42	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(OC)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]2C[6])(OC)(H)2	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(CHHO){1|O<1>,4|H<1>,6|C<4>}	H(CC[5,6]HO)	110.0110	0.056	5	109.9916	0.004	7	109.9148	0.026	9	109.0720	1.698	42	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(OC)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]2C[6])(OC)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CHHO){1|O<2>,4|C<4>,7|H<1>}	H(CC[5,6]HO)	109.6460	0.016	2	109.6460	0.000	2	109.9148	0.026	9	109.0720	1.698	42	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CH)(C[6]C[6]HH)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[5]O[5]CH)(C[6]C[6]HH)(CHHO){2|C<4>,2|H<1>}	H(CC[5,6]HO)	108.4005	0.267	2	108.4005	0.071	2	108.5852	3.562	17	109.0720	1.698	42	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO){1|C<3>,2|C<4>,6|H<1>}	H(CC[5,6]HO)	109.8692	0.433	8	109.8558	0.147	10	108.5852	3.562	17	109.0720	1.698	42	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO){3|C<4>,6|H<1>}	H(CC[5,6]HO)	109.8020	0.051	2	109.8558	0.147	10	108.5852	3.562	17	109.0720	1.698	42	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[5,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHO){3|C<4>,6|H<1>}	H(CC[5,6]HO)	108.7370	0.000	1	108.7370	0.000	1	108.5852	3.562	17	109.0720	1.698	42	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:2:1:1:	4:4:4:4:	4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHO){1|C<3>,2|C<4>,6|H<1>}	H(CC[5,6]HO)	105.4630	0.355	4	105.4630	0.126	4	108.5852	3.562	17	109.0720	1.698	42	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	2:4:2:4:	4:	C[5,6]-4:C[6a]-3:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]2)(H)2	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(O[5]C[5,5])(CC[6a]HH)	H(CC[5,6]C[6a]H)	C(C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]2)(H)2	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(O[5]C[5,5])(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(CC[5,6]C[6a]H)	108.5215	0.068	4	108.5215	0.005	4	108.5215	0.005	4	108.5215	0.005	4	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	2:4:3:4:	4:	C[5,6]-4:C-3:H-1:H-1:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(COO)(H)2	C[5,6](O[5,6]Ga[5,5,6,6])(C[6]C[6]HH)(C[5]O[5]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]O[5,6]C[5]C[6])(COO)(H)2	C[5,6](O[5,6]Ga[5,5,6,6])(C[6]C[6]HH)(C[5]O[5]O)(CCHH){1|O<1>,4|O<2>}	H(CC[5,6]CH)	109.7070	2.391	2	109.7070	5.719	2	109.7070	5.719	2	109.7070	5.719	2	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:3:3:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH){1|Br<1>,1|C<4>,4|C<3>}	H(CC[5,6]CH)	108.5705	0.154	4	108.7048	0.031	8	108.7048	0.031	8	108.8567	0.139	12	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:3:3:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	H(CC[5,6]CH)	108.8390	0.024	4	108.7048	0.031	8	108.7048	0.031	8	108.8567	0.139	12	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:3:3:4:	4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5,6]C[5a,6]N[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CC[6a]HH)	H(CC[5,6]C[6a]H)	C(C[5,6]C[5a,6]N[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(CC[5,6]C[6a]H)	108.7245	0.022	2	108.7245	0.000	2	108.7245	0.000	2	108.8567	0.139	12	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:3:3:4:	4:	C[5,6]-4:N-3:H-1:H-1:	N[5a,6]-3:C[5,6]-3:N[5]-3:C-4:	C-4:	C(C[5,6]N[5a,6]C[5,6]N[5])(NCS)(H)2	C[5,6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(CHHN)	H(CC[5,6]HN)	C(C[5,6]N[5a,6]C[5,6]N[5])(NCS)(H)2	C[5,6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(CHHN){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(CC[5,6]HN)	109.5965	0.023	2	109.5965	0.001	2	109.5965	0.001	2	108.8567	0.139	12	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:3:4:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]CC)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]CC)(CCHH){1|C<4>,1|H<1>,4|C<3>}	H(CC[5,6]CH)	108.7425	0.016	2	108.7425	0.000	2	108.7807	0.024	6	108.5779	0.083	10	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:3:4:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]HN)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]HN)(CCHH){1|C<4>,1|H<1>,4|C<3>}	H(CC[5,6]CH)	108.7998	0.195	4	108.7998	0.038	4	108.7807	0.024	6	108.5779	0.083	10	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:3:4:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(COO)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(COO)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(CCHH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(CC[5,6]CH)	108.2205	0.013	2	108.2205	0.000	2	108.2205	0.000	2	108.5779	0.083	10	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:3:4:4:	4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]O[6a])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CC[6a]HH)	H(CC[5,6]C[6a]H)	C(C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]O[6a])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|C<3>,5|H<1>}	H(CC[5,6]C[6a]H)	108.3270	0.011	2	108.3270	0.000	2	108.3270	0.000	2	108.5779	0.083	10	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:4:2:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[5]O[6])(CCC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]O[6])(CCC)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CCHH){1|C<4>,1|O<1>,5|H<1>}	H(CC[5,6]CH)	107.4845	0.045	2	107.4845	0.002	2	107.4845	0.002	2	107.9698	0.227	5	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:4:2:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]N[5])(CCO)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(N[5]C[5])(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[6]N[5])(CCO)(H)2	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(N[5]C[5])(CCHH){3|C<4>,4|H<1>}	H(CC[5,6]CH)	108.2933	0.245	3	108.2933	0.060	3	108.2933	0.060	3	107.9698	0.227	5	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:4:3:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CNO)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6]H)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CNO)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6]H)(CCHH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(CC[5,6]CH)	109.1945	0.938	2	109.1945	0.880	2	109.1945	0.880	2	108.9423	0.142	12	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:4:3:4:	4:	C[5,6]-4:C-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(CCH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]N[5,6]C[5]C[6])(CCH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH){1|O<1>,2|C<4>,4|H<1>}	H(CC[5,6]CH)	108.8125	0.314	4	108.8125	0.098	4	108.8189	0.045	8	108.9423	0.142	12	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:4:3:4:	4:	C[5,6]-4:C-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(CCH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]N[6]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]N[5,6]C[5]C[6])(CCH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]N[6]O)(CCHH){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	H(CC[5,6]CH)	108.8252	0.084	4	108.8252	0.007	4	108.8189	0.045	8	108.9423	0.142	12	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:4:3:4:	4:	C[5,6]-4:C-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(CCH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]N[5,6]C[5]C[6])(CCH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(CC[5,6]CH)	109.1835	0.006	2	109.1835	0.000	2	109.1835	0.000	2	108.9423	0.142	12	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:4:4:2:	4:	C[5,6]-4:C[6a]-3:Br-1:H-1:	C[5,6,6a]-3:C[6]-4:C-4:O[5]-2:	C-4:	C(C[5,6]C[5,6,6a]C[6]O[5])(C[6a]C[6a]2)(Br)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]BrH)(O[5]C[5])	H(CC[5,6]C[6a]Br)	C(C[5,6]C[5,6,6a]C[6]O[5])(C[6a]C[6a]2)(Br)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]BrH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5,6]C[6a]Br)	107.0910	0.000	1	107.0910	0.000	1	107.0910	0.000	1	107.0910	0.000	1	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	H(CC[5,6]CH)	108.6400	0.011	2	108.6400	0.000	2	108.2353	0.219	4	108.1874	0.212	12	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CNO)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CNO)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CCHH){1|O<1>,3|C<4>,3|H<1>}	H(CC[5,6]CH)	107.8305	0.021	2	107.8305	0.000	2	108.2353	0.219	4	108.1874	0.212	12	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH){1|Br<1>,1|S<4>,5|C<3>}	H(CC[5,6]CH)	108.5940	0.007	2	108.5940	0.000	2	108.2395	0.388	4	108.1874	0.212	12	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(CC[5,6]CH)	107.8850	0.813	2	107.8850	0.661	2	108.2395	0.388	4	108.1874	0.212	12	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]C[5])(CCH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[6,6a]C[5,6]C[5])(CCH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]HH)(CCHH){1|C<4>,3|C<3>,5|H<1>}	H(CC[5,6]CH)	108.4220	0.007	2	108.4220	0.000	2	108.4220	0.000	2	108.1874	0.212	12	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	3:4:4:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[6]C[3,6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CC[6]HH)	H(CC[5,6]C[6]H)	C(C[5,6]C[5,6]C[5]C[6])(C[6]C[3,6]C[6])(H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CC[6]HH){1|C<3>,2|C<4>,3|H<1>}	H(CC[5,6]C[6]H)	107.7530	0.011	2	107.7530	0.000	2	107.7530	0.000	2	108.1874	0.212	12	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:3:2:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]O)(O[5]C[5])(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]O)(O[5]C[5])(CCHH){1|O<2>,2|H<1>,4|C<4>}	H(CC[5,6]CH)	108.5285	0.008	2	108.5285	0.000	2	108.5285	0.000	2	108.9485	0.235	4	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:3:2:4:	4:	C[5,6]-4:O-3:H-1:H-1:	C[5,6]-4:O[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]O[5]O[6])(OPtH)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(O[6]C[6]Pt)(O[5]C[5])(CHHO)	H(CC[5,6]HO)	C(C[5,6]C[5,6]O[5]O[6])(OPtH)(H)2	C[5,6](C[5,6]C[5,6]O[5]H)(O[6]C[6]Pt)(O[5]C[5])(CHHO){1|O<2>,3|C<4>,3|H<1>}	H(CC[5,6]HO)	109.3685	0.022	2	109.3685	0.000	2	109.3685	0.000	2	108.9485	0.235	4	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:3:3:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5,6a]C[6])(CCH)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6,6]C[5,6a]C[6])(CCH)(H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)(CCHH){2|H<1>,2|O<2>,4|C<3>}	H(CC[5,6]CH)	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:3:4:1:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CCHH)(H){1|C<4>,5|H<1>}	H(CC[5,6]CH)	108.6590	0.663	2	108.6590	0.440	2	108.6590	0.440	2	108.8173	0.181	4	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:3:4:1:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:N[5,5,6]-3:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]N[5,5,6]H)(COO)(H)2	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(N[5,5,6]C[3x5,6]S[5])(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]N[5,5,6]H)(COO)(H)2	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(N[5,5,6]C[3x5,6]S[5])(CCHH)(H){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	H(CC[5,6]CH)	108.9755	0.049	2	108.9755	0.002	2	108.9755	0.002	2	108.8173	0.181	4	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:2:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(CCO)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[6]O[5])(CCO)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(CCHH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(CC[5,6]CH)	109.3207	0.029	3	109.3207	0.001	3	109.3207	0.001	3	108.8068	0.435	9	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(C[6]C[6]2)(H)2	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH)	H(CC[5,6]C[6]H)	C(C[5,6]C[5,6]C[6]O[5])(C[6]C[6]2)(H)2	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH){1|O<1>,2|C<4>,2|H<1>}	H(CC[5,6]C[6]H)	108.3528	0.779	4	108.5498	0.458	6	108.5498	0.458	6	108.8068	0.435	9	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(C[6]C[6]2)(H)2	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH)	H(CC[5,6]C[6]H)	C(C[5,6]C[5,6]C[6]O[5])(C[6]C[6]2)(H)2	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH){2|C<4>,4|H<1>}	H(CC[5,6]C[6]H)	108.9440	0.030	2	108.5498	0.458	6	108.5498	0.458	6	108.8068	0.435	9	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]O)(CCHH){1|C<4>,1|O<1>,6|H<1>}	H(CC[5,6]CH)	108.8405	0.015	2	108.8405	0.000	2	108.9082	0.466	9	108.6587	0.286	19	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]O)(CCHH){1|C<3>,3|C<4>,4|H<1>}	H(CC[5,6]CH)	108.7770	0.023	2	108.7770	0.001	2	108.9082	0.466	9	108.6587	0.286	19	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCO)(H)2	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCO)(H)2	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]O)(CCHH){1|C<4>,3|H<1>}	H(CC[5,6]CH)	107.4420	0.000	1	107.4420	0.000	1	108.9082	0.466	9	108.6587	0.286	19	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]O)(CCHH){1|C<4>,1|H<1>,5|C<3>}	H(CC[5,6]CH)	109.3743	0.471	4	109.3743	0.222	4	108.9082	0.466	9	108.6587	0.286	19	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(CCHH){2|C<4>,2|H<1>}	H(CC[5,6]CH)	108.3035	0.088	4	108.3035	0.008	4	108.3035	0.008	4	108.6587	0.286	19	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH)	H(CC[5,6]C[6a]H)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<1>,6|H<1>}	H(CC[5,6]C[6a]H)	108.7345	0.013	2	108.7345	0.000	2	108.5212	0.044	6	108.6587	0.286	19	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:3:4:	4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH)	H(CC[5,6]C[6a]H)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<1>,4|H<1>}	H(CC[5,6]C[6a]H)	108.4145	0.169	4	108.4145	0.028	4	108.5212	0.044	6	108.6587	0.286	19	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]Se[6,6]O[5,6]H)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6,6]H)(CCO)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]Se[6,6]O[5,6]H)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(CC[5,6]CH)	108.6980	0.000	1	108.6980	0.000	1	108.6980	0.000	1	108.9943	0.245	22	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CCO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CCO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CCHH)(H){1|C<4>,5|H<1>}	H(CC[5,6]CH)	108.7100	0.014	2	108.7100	0.000	2	108.7104	0.272	5	108.9943	0.245	22	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(COO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(COO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<4>,5|H<1>}	H(CC[5,6]CH)	109.1365	0.028	2	109.1365	0.001	2	108.7104	0.272	5	108.9943	0.245	22	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(COO)(H)2	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(COO)(H)2	C[5,6](C[5,5,6]C[5,6]P[5,5]H)(C[5,6]C[5,5,6]HP)(CCHH)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[5,6]CH)	107.8590	0.000	1	107.8590	0.000	1	108.7104	0.272	5	108.9943	0.245	22	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6,6]H)(COO)(H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6,6]H)(COO)(H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHH)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(CC[5,6]CH)	109.1488	0.339	4	109.1100	0.073	6	109.1100	0.073	6	108.9943	0.245	22	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6,6]H)(COO)(H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6,6]H)(COO)(H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHH)(H){2|O<2>,3|C<4>,4|H<1>}	H(CC[5,6]CH)	109.0325	0.015	2	109.1100	0.073	6	109.1100	0.073	6	108.9943	0.245	22	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(H)2	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]HH)(H)	H(CC[5,6]C[6a]H)	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(H)2	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(CC[6a]HH)(H){1|H<1>,1|S<4>,2|C<3>}	H(CC[5,6]C[6a]H)	108.5655	0.036	2	108.5655	0.001	2	108.5655	0.001	2	108.9943	0.245	22	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6a]C)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(H)	H(CC[5,6]HN)	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6a]C)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(H){1|C<4>,5|H<1>}	H(CC[5,6]HN)	108.9380	0.235	6	108.9380	0.055	6	109.2292	0.330	8	108.9943	0.245	22	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:1:	4:	C[5,6]-4:N-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(NHS)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CHHN)(H)	H(CC[5,6]HN)	C(C[5,6]C[5,5,6]C[5,6]H)(NHS)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CHHN)(H){1|C<4>,5|H<1>}	H(CC[5,6]HN)	110.1030	0.004	2	110.1030	0.000	2	109.2292	0.330	8	108.9943	0.245	22	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:2:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,5,6,6]-4:C[4,5,6]-4:C-4:O-2:	C-4:	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CCH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCHH)(OH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CCH)(H)2	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCHH)(OH){4|C<4>,4|H<1>}	H(CC[5,6]CH)	108.7576	0.166	15	108.7576	0.028	15	108.8346	0.094	19	108.7470	0.162	21	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:2:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,5,6,6]-4:C[4,5,6]-4:C-4:O-2:	C-4:	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CNO)(H)2	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCHH)(OH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CNO)(H)2	C[5,6](C[5,5,6,6]C[5,5,6,6]C[3x5,6]H)(C[4,5,6]C[4,5,5,6]C[4,5,6]H)(CCHH)(OH){4|C<4>,4|H<1>}	H(CC[5,6]CH)	109.1235	0.545	4	109.1235	0.297	4	108.8346	0.094	19	108.7470	0.162	21	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:2:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C-4:	C(C[5,6]C[5,6]2O)(CC[6a]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCHH)(OH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]2O)(CC[6a]O)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(CCHH)(OH){2|C<4>,5|H<1>}	H(CC[5,6]CH)	107.9150	0.059	2	107.9150	0.004	2	107.9150	0.004	2	108.7470	0.162	21	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(H)2	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(COO)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(H)2	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(COO){1|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]CH)	108.5605	0.008	2	108.5605	0.000	2	108.6000	0.004	4	108.6000	0.004	4	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:3:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(COO)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(COO){1|C<3>,4|H<1>}	H(CC[5,6]CH)	108.6395	0.066	2	108.6395	0.004	2	108.6000	0.004	4	108.6000	0.004	4	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(CCH)(H)2	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]CO)(C[5]C[5]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5]C[6])(CCH)(H)2	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]CO)(C[5]C[5]HH)(CCHH){4|H<1>,5|C<4>}	H(CC[5,6]CH)	107.4600	0.006	2	107.4600	0.000	2	107.4600	0.000	2	108.3686	0.985	37	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]HH)(C[6]N[6]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]HH)(C[6]N[6]HH)(CCHH){1|H<1>,3|C<3>}	H(CC[5,6]CH)	109.3315	0.028	2	109.3315	0.001	2	108.7315	0.290	10	108.3686	0.985	37	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]HH)(CCHH){1|C<4>,8|H<1>}	H(CC[5,6]CH)	108.4635	0.008	2	108.4635	0.000	2	108.7315	0.290	10	108.3686	0.985	37	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]HH)(C[6]N[6]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5]O[6]H)(C[5]O[5]HH)(C[6]N[6]HH)(CCHH){1|C<3>,3|H<1>}	H(CC[5,6]CH)	108.9655	0.011	2	108.9655	0.000	2	108.7315	0.290	10	108.3686	0.985	37	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(COO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(COO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)(CCHH){1|O<1>,3|C<4>,4|H<1>}	H(CC[5,6]CH)	108.4485	0.663	4	108.4485	0.440	4	108.7315	0.290	10	108.3686	0.985	37	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:N[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]N[6])(CCH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(N[6]C[6]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]N[6])(CCH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(N[6]C[6]HH)(CCHH){1|C<4>,8|H<1>}	H(CC[5,6]CH)	106.0770	1.134	2	106.0770	1.286	2	106.0770	1.286	2	108.3686	0.985	37	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[6]N[5])(CCH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[6]N[5])(CCH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]HH)(CCHH){1|C<4>,8|H<1>}	H(CC[5,6]CH)	107.6005	1.406	2	107.6005	1.978	2	107.6005	1.978	2	108.3686	0.985	37	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C-3:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(CCH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]N[5,6]C[5]C[6])(CCH)(H)2	C[5,6](N[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]HH)(CCHH){2|C<4>,5|H<1>}	H(CC[5,6]CH)	108.8935	0.035	2	108.8935	0.001	2	108.8935	0.001	2	108.3686	0.985	37	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]2)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CC[6]HH)	H(CC[5,6]C[6]H)	C(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]2)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HO)(CC[6]HH){1|C<4>,1|O<1>,6|H<1>}	H(CC[5,6]C[6]H)	108.1865	0.118	2	108.1865	0.014	2	108.1865	0.014	2	108.3686	0.985	37	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH)	H(CC[5,6]C[6a]H)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH){2|C<3>,2|C<4>}	H(CC[5,6]C[6a]H)	108.3745	0.128	6	108.3745	0.016	6	108.3804	0.560	8	108.3686	0.985	37	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[5,6]C[6a]H)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[6]O[5]O)(C[5]C[5]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,5|H<1>}	H(CC[5,6]C[6a]H)	108.3980	1.959	2	108.3980	3.836	2	108.3804	0.560	8	108.3686	0.985	37	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CC[6a]HH)	H(CC[5,6]C[6a]H)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CC[6a]HH){2|H<1>,4|C<3>}	H(CC[5,6]C[6a]H)	108.3297	1.540	4	108.3297	2.373	4	108.3297	2.373	4	108.3686	0.985	37	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:N-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(NCH)(H)2	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHN)	H(CC[5,6]HN)	C(C[5,6]C[5,6]C[5]C[6])(NCH)(H)2	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[5]CH)(C[6]C[6]HH)(CHHN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(CC[5,6]HN)	108.6985	0.009	2	108.6985	0.000	2	109.1050	0.138	5	108.3686	0.985	37	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:1:1:	4:4:4:4:	4:	C[5,6]-4:N-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(NCS)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHN)	H(CC[5,6]HN)	C(C[5,6]C[5,6]C[5]C[6])(NCS)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CHHN){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(CC[5,6]HN)	109.3760	0.016	3	109.3760	0.000	3	109.1050	0.138	5	108.3686	0.985	37	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:2:1:	3:4:4:4:	4:	C[5,6]-4:C-3:O-2:H-1:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CNO)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CCHO)	H(CC[5,6]CO)	C(C[5,6]C[5,6]C[5]C[6])(CNO)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CCHO){2|O<2>,3|C<4>,3|H<1>}	H(CC[5,6]CO)	107.9460	0.000	1	107.9460	0.000	1	107.9460	0.000	1	107.9460	0.000	1	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:2:1:	4:2:2:4:	4:	C[5,6]-4:C-3:O-2:H-1:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6]O[5]O[6])(CNO)(OC)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CCHO)	H(CC[5,6]CO)	C(C[5,6]C[5,6]O[5]O[6])(CNO)(OC)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CCHO){1|O<2>,3|C<4>,3|H<1>}	H(CC[5,6]CO)	108.7930	0.000	1	108.7930	0.000	1	108.7930	0.000	1	108.7930	0.000	1	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:2:1:	4:3:3:4:	4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(C[6]C[6]C)(CC[6a]HO)	H(CC[5,6]C[6a]O)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(OSi)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(C[6]C[6]C)(CC[6a]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5,6]C[6a]O)	108.0815	0.046	2	108.0815	0.002	2	108.0815	0.002	2	108.0815	0.002	2	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:2:1:	4:4:3:4:	4:	C[5,6]-4:C-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCHO)	H(CC[5,6]CO)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCHO){1|O<2>,3|C<4>,4|H<1>}	H(CC[5,6]CO)	108.5140	0.000	1	108.5140	0.000	1	108.3735	0.039	2	108.3735	0.039	2	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:2:1:	4:4:3:4:	4:	C[5,6]-4:C-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCHO)	H(CC[5,6]CO)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCHO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5,6]CO)	108.2330	0.000	1	108.2330	0.000	1	108.3735	0.039	2	108.3735	0.039	2	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6]-4:C-3:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]2H)(COO)(OC)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,5]C)(CCHO)(H)	H(CC[5,6]CO)	C(C[5,6]C[5,5,6]2H)(COO)(OC)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,5]C)(CCHO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(CC[5,6]CO)	107.1410	0.000	1	107.1410	0.000	1	107.1410	0.000	1	109.5060	5.320	6	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6]-4:C-3:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CCH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCHO)(H)	H(CC[5,6]CO)	C(C[5,6]C[5,5,6]C[5,6]H)(CCH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CCHO)(H){2|H<1>,4|C<4>}	H(CC[5,6]CO)	109.2280	0.109	2	109.2280	0.012	2	109.2280	0.012	2	109.5060	5.320	6	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6]-4:C-3:O-2:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6,6]H)(COO)(OH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHO)(H)	H(CC[5,6]CO)	C(C[5,6]C[5,5,6]C[5,6,6]H)(COO)(OH)(H)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6]C)(C[5,5,6]C[5,5]C[5,6]C)(CCHO)(H){2|O<2>,3|C<4>,4|H<1>}	H(CC[5,6]CO)	113.9410	0.000	1	113.9410	0.000	1	113.9410	0.000	1	109.5060	5.320	6	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5a]-3:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a]O[5a])(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[5a]HO)(H)	H(CC[5,6]C[5a]O)	C(C[5,6]C[5,5,6]C[5,6]H)(C[5a]C[5a]O[5a])(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(CC[5a]HO)(H){2|H<1>,4|C<4>}	H(CC[5,6]C[5a]O)	108.8630	0.000	1	108.8630	0.000	1	108.8630	0.000	1	109.5060	5.320	6	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:2:1:	4:4:4:1:	4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]HO)(H)	H(CC[5,6]C[6a]O)	C(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)(OC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC[6a]HO)(H){1|C<4>,1|O<1>,3|H<1>}	H(CC[5,6]C[6a]O)	108.6350	0.000	1	108.6350	0.000	1	108.6350	0.000	1	109.5060	5.320	6	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:2:1:	4:4:4:4:	4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(OC)(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HO)	H(CC[5,6]C[6a]O)	C(C[5,6]C[5,6,6]C[5]C[6])(C[6a]C[6a]2)(OC)(H)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HO){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(CC[5,6]C[6a]O)	108.0585	0.096	4	108.0585	0.009	4	108.0585	0.009	4	108.0585	0.009	4	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:3:1:	3:4:4:2:	4:	C[5,6]-4:C[6a]-3:N-3:H-1:	C[5,6]-3:C[6]-4:C-4:O[5]-2:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)(NCH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(CC[6a]HN)(O[5]C[5])	H(CC[5,6]C[6a]N)	C(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)(NCH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(CC[6a]HN)(O[5]C[5]){1|C<4>,1|O<1>,5|H<1>}	H(CC[5,6]C[6a]N)	107.5500	0.000	1	107.5500	0.000	1	107.5500	0.000	1	107.5500	0.000	1	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:3:1:	4:4:3:4:	4:	C[5,6]-4:C[6a]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(CCH)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]S[6]HH)(C[5]N[5]C)(CC[6a]CH)	H(CC[5,6]C[6a]C)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(CCH)(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]S[6]HH)(C[5]N[5]C)(CC[6a]CH){1|C<4>,2|H<1>}	H(CC[5,6]C[6a]C)	104.4010	0.000	1	104.4010	0.000	1	104.4010	0.000	1	104.4010	0.000	1	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:3:1:	4:4:4:3:	4:	C[5,6]-4:C[6a]-3:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(CC[6a]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]CH)(COO)	H(CC[5,6]C[6a]C)	C(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(CC[6a]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]CH)(COO){1|C<3>,4|H<1>}	H(CC[5,6]C[6a]C)	106.3190	0.000	1	106.3190	0.000	1	106.3190	0.000	1	106.3190	0.000	1	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:4:1:	3:3:4:2:	4:	C[5,6]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:N[5,6]-3:C-4:O[6]-2:	C-4:	C(C[5,6]C[5,6a]N[5,6]O[6])(C[6a]C[6a]2)(CHHO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(CC[6a]CH)(O[6]C[6])	H(CC[5,6]C[6a]C)	C(C[5,6]C[5,6a]N[5,6]O[6])(C[6a]C[6a]2)(CHHO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(CC[6a]CH)(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(CC[5,6]C[6a]C)	106.2740	0.000	1	106.2740	0.000	1	106.2740	0.000	1	106.2740	0.000	1	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:3:4:1:	4:4:4:3:	4:	C[5,6]-4:C-3:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCCH)(COO)	H(CC[5,6]CC)	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCCH)(COO){1|C<3>,4|H<1>}	H(CC[5,6]CC)	107.6010	0.000	1	107.6010	0.000	1	107.6010	0.000	1	107.6010	0.000	1	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	2:4:2:4:	4:	C[5,6]-4:C-4:H-1:H-1:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[5]O[6])(CC[6a]HH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CCHH)	H(CC[5,6]CH)	C(C[5,6]O[5,6]C[5]O[6])(CC[6a]HH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5,6]CH)	108.4010	0.041	2	108.4010	0.002	2	108.4010	0.002	2	108.2590	1.566	4	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	2:4:2:4:	4:	C[5,6]-4:C-4:H-1:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(CHHO)(H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CCHH)	H(CC[5,6]CH)	C(C[5,6]O[5,6]C[6]O[5])(CHHO)(H)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CCHH){1|C<4>,2|C<3>,3|H<1>}	H(CC[5,6]CH)	108.1170	2.148	2	108.1170	4.615	2	108.1170	4.615	2	108.2590	1.566	4	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	2:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	O[5,6]-2:C[5]-4:N[6]-3:C-4:	C-4:	C(C[5,6]O[5,6]C[5]N[6])(CCHH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(N[6]C[6]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]O[5,6]C[5]N[6])(CCHH)(H)2	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(N[6]C[6]O)(CCHH){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(CC[5,6]CH)	108.1745	0.015	2	108.1745	0.000	2	108.1745	0.000	2	108.1745	0.000	2	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:3:2:4:	4:	C[5,6]-4:C-4:H-1:H-1:	N[5,6]-3:C[5]-3:O[6]-2:C-4:	C-4:	C(C[5,6]N[5,6]C[5]O[6])(CCCH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]O)(O[6]C[6])(CCHH)	H(CC[5,6]CH)	C(C[5,6]N[5,6]C[5]O[6])(CCCH)(H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]O)(O[6]C[6])(CCHH){1|O<1>,4|C<3>}	H(CC[5,6]CH)	108.0625	0.019	2	108.0625	0.000	2	108.0625	0.000	2	108.0625	0.000	2	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:3:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CCHH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6,6a]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCHH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6,6a]O)(CCHH){1|H<1>,5|C<3>}	H(CC[5,6]CH)	109.7485	0.221	2	109.7485	0.049	2	109.7485	0.049	2	108.3284	1.334	14	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:3:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-4:	C-4:	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5]C[6])(C[5]S[5]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5]C[6])(C[5]S[5]O)(CCHH){1|C<4>,1|S<1>,2|C<3>,3|H<1>}	H(CC[5,6]CH)	108.8079	0.040	8	108.8079	0.002	8	108.8079	0.002	8	108.3284	1.334	14	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:3:3:4:	4:	C[5,6]-4:Si-4:H-1:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)2	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH)	H(CC[5,6]SiH)	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)2	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH){1|C<4>,6|C<3>}	H(CC[5,6]SiH)	106.9160	0.034	2	106.9160	0.001	2	106.6595	0.091	4	108.3284	1.334	14	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:3:3:4:	4:	C[5,6]-4:Si-4:H-1:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)2	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH)	H(CC[5,6]SiH)	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)2	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH){1|C<4>,6|C<3>}	H(CC[5,6]SiH)	106.4030	0.086	2	106.4030	0.007	2	106.6595	0.091	4	108.3284	1.334	14	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCHH){1|P<4>,3|C<3>,4|H<1>}	H(CC[5,6]CH)	108.4570	0.037	4	108.4570	0.001	4	107.7062	0.471	13	107.9699	0.933	18	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6,6]CH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6,6]CH)(CCHH){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	H(CC[5,6]CH)	106.6710	1.028	2	107.3724	0.299	9	107.7062	0.471	13	107.9699	0.933	18	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6,6]CH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6,6]CH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(CC[5,6]CH)	107.5729	0.108	7	107.3724	0.299	9	107.7062	0.471	13	107.9699	0.933	18	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(CF3)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[6,6a]C[5,6])(CF3)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(CCHH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(CC[5,6]CH)	109.4055	2.218	2	109.4055	4.920	2	109.4055	4.920	2	107.9699	0.933	18	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CCHH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(CC[5,6]CH)	108.2490	0.000	1	108.2490	0.000	1	108.2490	0.000	1	107.9699	0.933	18	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:3:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]2)(CH3)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[6,6a]C[5,6]2)(CH3)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(CC[5,6]CH)	108.1090	0.369	2	108.1090	0.136	2	108.1090	0.136	2	107.9699	0.933	18	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]C)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]C)(CCHH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(CC[5,6]CH)	107.9225	0.008	2	107.9225	0.000	2	107.9225	0.000	2	107.7165	3.601	17	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CH3)(H)2	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CH3)(H)2	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CCHH){1|C<4>,5|H<1>}	H(CC[5,6]CH)	108.7680	0.076	2	108.7680	0.006	2	108.7680	0.006	2	107.7165	3.601	17	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]2)(CHHN)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6])(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]2)(CHHN)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6])(CCHH){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(CC[5,6]CH)	108.6400	0.037	2	108.6400	0.001	2	108.6400	0.001	2	107.7165	3.601	17	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]H)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]H)(CCHH){2|C<3>,2|C<4>,3|H<1>}	H(CC[5,6]CH)	102.9645	0.390	2	102.9645	0.152	2	102.9645	0.152	2	107.7165	3.601	17	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[6,6a]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(CCHH){3|C<4>,4|C<3>,4|H<1>}	H(CC[5,6]CH)	107.9245	0.009	2	107.9245	0.000	2	108.1988	0.100	4	107.7165	3.601	17	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[6,6a]C[5,6]C[5])(CHHN)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[6,6a]C[5,6]C[5])(CHHN)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]O)(CCHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(CC[5,6]CH)	108.4730	0.010	2	108.4730	0.000	2	108.1988	0.100	4	107.7165	3.601	17	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(CCCH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]N[5,6]C[5]C[6])(CCCH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CCHH){1|O<1>,3|H<1>,4|C<4>}	H(CC[5,6]CH)	107.3245	0.008	2	107.3245	0.000	2	107.9430	0.511	4	107.7165	3.601	17	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(CH3)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CCHH)	H(CC[5,6]CH)	C(C[5,6]N[5,6]C[5]C[6])(CH3)(H)2	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CCHH){1|C<3>,4|H<1>}	H(CC[5,6]CH)	108.5615	0.040	2	108.5615	0.002	2	107.9430	0.511	4	107.7165	3.601	17	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(H)2	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(CC[5]HH)	H(CC[5,6]C[5]H)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(H)2	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(CC[5]HH){1|C<3>,1|H<1>,4|C<4>}	H(CC[5,6]C[5]H)	110.0240	0.000	1	110.0240	0.000	1	110.0240	0.000	1	107.7165	3.601	17	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]2)(CN[5]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6]H)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]2)(CN[5]HH)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6]H)(CCHH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(CC[5,6]CH)	107.6315	0.022	2	107.6315	0.000	2	107.6315	0.000	2	108.3188	0.581	13	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]O[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(CC[5,6]CH)	107.8040	2.133	2	107.8040	4.548	2	108.4234	0.972	7	108.3188	0.581	13	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH){1|Br<1>,1|H<1>,1|S<4>,4|C<3>}	H(CC[5,6]CH)	108.2800	0.000	1	108.6473	0.101	3	108.4234	0.972	7	108.3188	0.581	13	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH){1|H<1>,2|C<4>,4|C<3>}	H(CC[5,6]CH)	108.8310	0.010	2	108.6473	0.101	3	108.4234	0.972	7	108.3188	0.581	13	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]HH)(CCHH){1|S<4>,2|C<4>,4|C<3>}	H(CC[5,6]CH)	108.7070	0.024	2	108.7070	0.001	2	108.4234	0.972	7	108.3188	0.581	13	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	3:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]N[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|C<4>,1|O<1>,6|H<1>}	H(CC[5,6]CH)	108.4795	0.069	4	108.4795	0.005	4	108.4795	0.005	4	108.3188	0.581	13	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:2:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[3,5]-4:O[5,6]-2:N[6]-3:C-4:	C-4:	C(C[5,6]C[3,5]O[5,6]N[6])(CCHH)(H)2	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(N[6]C[6]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[3,5]O[5,6]N[6])(CCHH)(H)2	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(N[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5,6]CH)	108.2215	0.033	2	108.2215	0.001	2	108.2215	0.001	2	108.2215	0.001	2	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]O[5,6]C)(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5,6]C[5,5,6])(CCHH)(CH3)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]O[5,6]C)(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5,6]C[5,5,6])(CCHH)(CH3){1|O<2>,2|C<4>,3|H<1>}	H(CC[5,6]CH)	108.7895	0.013	2	108.7895	0.000	2	107.9772	0.399	6	107.9772	0.399	6	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]O[5,6]C)(CC[4,5]HO)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(CCHH)(CH3)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]O[5,6]C)(CC[4,5]HO)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(CCHH)(CH3){1|C<4>,2|O<2>,3|H<1>}	H(CC[5,6]CH)	107.5710	0.068	4	107.5710	0.005	4	107.9772	0.399	6	107.9772	0.399	6	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:3:2:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]2S[5])(CH3)(H)2	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]2S[5])(CH3)(H)2	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CCHH){1|C<4>,1|H<1>,4|C<3>}	H(CC[5,6]CH)	108.4910	0.036	3	108.4910	0.001	3	108.4910	0.001	3	108.4910	0.001	3	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]2C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]2C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,8|H<1>}	H(CC[5,6]CH)	108.0300	0.000	1	108.0300	0.000	1	108.0300	0.000	1	108.4333	0.041	6	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CCHH){1|C<3>,2|O<2>,5|H<1>}	H(CC[5,6]CH)	108.5363	0.047	3	108.5363	0.002	3	108.5363	0.002	3	108.4333	0.041	6	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:3:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[6]N[5])(CH3)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[6]N[5])(CH3)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CCHH){2|C<3>,6|H<1>}	H(CC[5,6]CH)	108.4805	0.005	2	108.4805	0.000	2	108.4805	0.000	2	108.4333	0.041	6	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:3:4:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CCHN)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHN)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CCHH)(H){1|C<3>,2|H<1>}	H(CC[5,6]CH)	110.2985	2.145	2	110.2985	4.600	2	110.2985	4.600	2	110.2985	4.600	2	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]O)(C[5]C[5]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]O)(C[5]C[5]HH)(CCHH){4|C<4>,4|H<1>}	H(CC[5,6]CH)	108.8385	0.017	4	108.8385	0.000	4	108.8385	0.000	4	108.6025	0.067	8	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:3:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:S[5]-4:C-4:	C-4:	C(C[5,6]C[5,6]2S[5])(CH3)(H)2	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]2S[5])(CH3)(H)2	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(CCHH){1|C<2>,2|O<1>,5|C<3>}	H(CC[5,6]CH)	108.3665	0.092	4	108.3665	0.008	4	108.3665	0.008	4	108.6025	0.067	8	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6,6]C[6]O[5])(CCHH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(O[5]C[5,6])(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6,6]C[6]O[5])(CCHH)(H)2	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(O[5]C[5,6])(CCHH){2|O<2>,3|C<4>,4|H<1>}	H(CC[5,6]CH)	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	108.7257	0.025	7	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[6]O[5])(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH){1|Br<1>,1|O<1>,2|C<4>,4|H<1>}	H(CC[5,6]CH)	108.8495	0.030	2	108.7578	0.012	4	108.7762	0.008	6	108.7257	0.025	7	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[6]O[5])(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH){1|O<1>,2|C<4>,5|H<1>}	H(CC[5,6]CH)	108.6660	0.024	2	108.7578	0.012	4	108.7762	0.008	6	108.7257	0.025	7	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:2:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(CH3)(H)2	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6a]C[6]H)(O[5]C[5])(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[6]O[5])(CH3)(H)2	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6a]C[6]H)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(CC[5,6]CH)	108.8130	0.035	2	108.8130	0.001	2	108.7762	0.008	6	108.7257	0.025	7	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[3x5,6]C[5]C[6])(CC[6]HH)(H)2	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[3x5,6]C[5]C[6])(CC[6]HH)(H)2	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5]C[5]HH)(C[6]C[6]O)(CCHH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(CC[5,6]CH)	110.8370	1.218	2	110.8370	1.483	2	110.8370	1.483	2	108.1809	1.312	38	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[3x5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[3x5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]CH)(C[5]C[5]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[3x5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]CH)(C[5]C[5]O)(CCHH){1|Si<4>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(CC[5,6]CH)	108.3000	0.008	2	108.3000	0.000	2	108.3000	0.000	2	108.1809	1.312	38	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,5|H<1>}	H(CC[5,6]CH)	108.5590	0.000	2	108.5590	0.000	2	108.5590	0.000	2	108.1809	1.312	38	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:N[6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]N[6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5]N[6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CCHH){1|C<3>,4|C<4>,6|H<1>}	H(CC[5,6]CH)	108.8635	0.232	4	108.8635	0.054	4	108.8635	0.054	4	108.1809	1.312	38	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,5]C[5,6]C[6])(CCHH)(H)2	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,5]C[5,6]C[6])(CCHH)(H)2	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(CCHH){1|O<1>,3|C<4>,8|H<1>}	H(CC[5,6]CH)	107.4578	0.808	4	107.4578	0.653	4	107.4578	0.653	4	108.1809	1.312	38	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:N[5]-3:C-4:	C-4:	C(C[5,6]C[5,6,6]C[6]N[5])(CCHH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(N[5]N[5,6]C)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6,6]C[6]N[5])(CCHH)(H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(N[5]N[5,6]C)(CCHH){3|C<4>,5|H<1>}	H(CC[5,6]CH)	108.1270	2.432	4	108.1270	5.914	4	108.1270	5.914	4	108.1809	1.312	38	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|O<1>,6|H<1>}	H(CC[5,6]CH)	108.4545	0.172	4	108.4545	0.030	4	107.8706	0.446	10	108.1809	1.312	38	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(CCHH){2|C<4>,2|H<1>,2|O<2>}	H(CC[5,6]CH)	107.5155	0.739	4	107.5155	0.547	4	107.8706	0.446	10	108.1809	1.312	38	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(CCHH){1|O<2>,2|C<4>,3|H<1>}	H(CC[5,6]CH)	107.4130	0.038	2	107.4130	0.001	2	107.8706	0.446	10	108.1809	1.312	38	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]CH)	108.5295	0.039	2	108.5295	0.002	2	107.7687	0.348	6	108.1809	1.312	38	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(C[5]C[5]H)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(C[5]C[5]H)(CCHH){2|C<4>,3|H<1>}	H(CC[5,6]CH)	107.3882	0.018	4	107.3882	0.000	4	107.7687	0.348	6	108.1809	1.312	38	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[6]-4:C[5,6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CH3)(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]O)(C[5]N[5]O)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CH3)(H)2	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]O)(C[5]N[5]O)(CCHH){1|O<1>,5|C<3>}	H(CC[5,6]CH)	108.6030	0.008	2	108.6030	0.000	2	108.6030	0.000	2	108.1809	1.312	38	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:3:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CC[5]HH)	H(CC[5,6]C[5]H)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CC[5]HH){1|C<3>,8|H<1>}	H(CC[5,6]C[5]H)	107.5835	0.077	2	107.5835	0.006	2	107.5835	0.006	2	108.1809	1.312	38	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CCCO)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CCCO)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<4>,1|O<2>,4|H<1>}	H(CC[5,6]CH)	110.5465	1.471	2	110.5465	2.165	2	108.7242	0.902	38	108.7346	0.704	50	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CCCO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CCCO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<4>,1|O<2>,4|H<1>}	H(CC[5,6]CH)	107.5157	0.533	4	107.5157	0.284	4	108.7242	0.902	38	108.7346	0.704	50	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H){1|C<3>,4|H<1>}	H(CC[5,6]CH)	108.7150	0.023	2	108.7150	0.001	2	108.7242	0.902	38	108.7346	0.704	50	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|H<1>,2|C<3>}	H(CC[5,6]CH)	109.0760	0.016	2	109.0760	0.000	2	108.7242	0.902	38	108.7346	0.704	50	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	C[5,6](C[5,5,6]C[3x5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	C[5,6](C[5,5,6]C[3x5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H){2|Cl<1>,1|C<3>,2|O<2>}	H(CC[5,6]CH)	108.5443	0.096	3	108.5443	0.009	3	108.7242	0.902	38	108.7346	0.704	50	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	C[5,6](C[5,5,6]C[3x5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHH)(H){1|C<3>,2|H<1>,2|O<2>}	H(CC[5,6]CH)	108.0164	0.446	8	108.0164	0.199	8	108.7242	0.902	38	108.7346	0.704	50	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H){2|Cl<1>,1|C<3>,2|H<1>}	H(CC[5,6]CH)	109.0533	0.035	3	108.7104	0.161	7	108.7242	0.902	38	108.7346	0.704	50	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CC[5,6]HH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6]C[5,5,6]CH)(CCHH)(H){4|Cl<1>,1|C<3>}	H(CC[5,6]CH)	108.4532	0.340	4	108.7104	0.161	7	108.7242	0.902	38	108.7346	0.704	50	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6]N[5,5,6,6]HH)(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	H(CC[5,6]CH)	109.0545	0.009	2	109.0545	0.000	2	108.7242	0.902	38	108.7346	0.704	50	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(H)2	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(H)2	C[5,6](C[5,5,6]C[5,6,6]N[5,5]H)(C[5,6]C[5,5,6]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]CH)	110.3895	1.781	2	110.3895	3.173	2	108.7242	0.902	38	108.7346	0.704	50	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CPdCC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]H)(CPdCC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]PdH)(CCHH)(H){1|C<4>,5|H<1>}	H(CC[5,6]CH)	109.1928	0.418	6	109.1928	0.174	6	108.7242	0.902	38	108.7346	0.704	50	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,6]2H)(CH3)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,6]2H)(CH3)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CCHH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|H<1>}	H(CC[5,6]CH)	108.9755	0.011	2	108.9755	0.000	2	109.0127	0.002	4	108.7346	0.704	50	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,6]2H)(CHHO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CCHH)(H)	H(CC[5,6]CH)	C(C[5,6]C[5,6]2H)(CHHO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(CC[5,6]CH)	109.0500	0.030	2	109.0500	0.001	2	109.0127	0.002	4	108.7346	0.704	50	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:P-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(PC3)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CHHP)(H)	H(CC[5,6]HP)	C(C[5,6]C[5,5,6]C[5,6]H)(PC3)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CHHP)(H){1|C<4>,5|H<1>}	H(CC[5,6]HP)	108.1345	0.018	2	108.1345	0.000	2	108.1345	0.000	2	108.7346	0.704	50	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:P-4:H-1:H-1:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]P[5,5,6]H)(PC[6a]2B)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHP)(H)	H(CC[5,6]HP)	C(C[5,6]C[5,5,6]P[5,5,6]H)(PC[6a]2B)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHP)(H){1|O<2>,2|C<4>,6|H<1>}	H(CC[5,6]HP)	108.9225	0.067	2	108.9225	0.005	2	108.9225	0.005	2	108.7346	0.704	50	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:S-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,6]2H)(SC[6a]OO)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(CHHS)(H)	H(CC[5,6]HS)	C(C[5,6]C[5,6]2H)(SC[6a]OO)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)(CHHS)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(CC[5,6]HS)	108.7608	0.104	4	108.7608	0.011	4	108.7608	0.011	4	108.7346	0.704	50	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C-4:	C(C[5,6]C[5,6]2O)(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CCHH)(OC)	H(CC[5,6]CH)	C(C[5,6]C[5,6]2O)(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CCHH)(OC){1|O<1>,1|O<2>,6|H<1>}	H(CC[5,6]CH)	108.5500	0.000	1	108.5500	0.000	1	108.5500	0.000	1	107.2555	3.351	2	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:O-2:	C-4:	C(C[5,6]C[5,6]2O)(C[5]C[5]O[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]C)(CC[5]HH)(OH)	H(CC[5,6]C[5]H)	C(C[5,6]C[5,6]2O)(C[5]C[5]O[5]C)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]O[5]O[6]C)(CC[5]HH)(OH){2|H<1>,3|C<4>}	H(CC[5,6]C[5]H)	105.9610	0.000	1	105.9610	0.000	1	105.9610	0.000	1	107.2555	3.351	2	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]2C)(CCHH)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CCHH)(CHHO)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]2C)(CCHH)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CCHH)(CHHO){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5,6]CH)	108.3960	0.000	1	108.3960	0.000	1	108.3960	0.000	1	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(CC[3]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CCHH)(CH3)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]C)(CC[3]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CCHH)(CH3){1|C<3>,2|C<4>}	H(CC[5,6]CH)	108.0735	0.054	4	108.0735	0.003	4	108.0735	0.003	4	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:N-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]N)(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(NCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]N)(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCHH)(NCHH){1|C<4>,5|H<1>}	H(CC[5,6]CH)	107.1725	1.203	2	107.1725	1.447	2	107.1725	1.447	2	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5,6]C[5])(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(CCHH){2|O<1>,3|H<1>,4|C<4>}	H(CC[5,6]CH)	108.1605	0.040	4	108.1605	0.002	4	108.1605	0.002	4	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5]C[4]C[5]H)(C[6]C[6]CH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5]C[4]C[5]H)(C[6]C[6]CH)(CCHH){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(CC[5,6]CH)	108.0486	0.230	8	108.0486	0.053	8	108.2236	0.061	17	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5]C[6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]HO)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(CC[5,6]CH)	108.1800	0.079	2	108.1800	0.006	2	108.2236	0.061	17	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]N[5,6]O)(C[5]C[5,6]HH)(C[6]C[6]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5]C[6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]N[5,6]O)(C[5]C[5,6]HH)(C[6]C[6]HH)(CCHH){1|C<4>,3|H<1>,4|C<3>}	H(CC[5,6]CH)	108.4643	0.023	3	108.4361	0.005	7	108.2236	0.061	17	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]N[5,6]O)(C[5]C[5,6]HH)(C[6]C[6]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,5,6]C[5]C[6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]N[5,6]O)(C[5]C[5,6]HH)(C[6]C[6]HH)(CCHH){2|C<4>,3|C<3>,3|H<1>}	H(CC[5,6]CH)	108.4150	0.087	4	108.4361	0.005	7	108.2236	0.061	17	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[4]C[5]H)(C[6]C[6]CH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[4]C[5]H)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(CC[5,6]CH)	108.1080	0.000	1	108.1080	0.000	1	107.5214	3.519	65	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]2H)(C[6]C[6]CH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]2H)(C[6]C[6]CH)(CCHH){2|C<3>,2|C<4>,5|H<1>}	H(CC[5,6]CH)	108.3370	0.008	2	108.3370	0.000	2	107.5214	3.519	65	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HO)(CCHH){1|C<4>,1|O<1>,6|H<1>}	H(CC[5,6]CH)	104.5046	5.396	6	104.5046	29.112	6	107.5214	3.519	65	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH){1|C<3>,7|H<1>}	H(CC[5,6]CH)	107.9663	1.529	4	107.9663	2.337	4	107.5214	3.519	65	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HH)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	H(CC[5,6]CH)	108.1534	0.298	5	108.1534	0.089	5	107.5214	3.519	65	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	H(CC[5,6]CH)	107.6407	0.485	6	107.7017	0.144	15	107.5214	3.519	65	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){2|C<4>,2|H<1>,2|O<2>}	H(CC[5,6]CH)	107.7424	0.317	9	107.7017	0.144	15	107.5214	3.519	65	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|C<3>,1|C<4>,3|H<1>}	H(CC[5,6]CH)	107.7280	0.494	4	107.3424	0.133	16	107.5214	3.519	65	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|O<2>,2|C<4>,3|H<1>}	H(CC[5,6]CH)	107.2139	0.207	12	107.3424	0.133	16	107.5214	3.519	65	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CH3)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]C[5,6]C[5]C[6])(CH3)(H)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH){2|C<4>,7|H<1>}	H(CC[5,6]CH)	108.2152	0.184	16	108.2152	0.034	16	107.5214	3.519	65	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:C-4:H-1:H-1:	N[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]N[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](N[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	H(CC[5,6]CH)	C(C[5,6]N[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](N[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<3>,1|C<4>,5|H<1>}	H(CC[5,6]CH)	109.0390	0.047	4	109.0390	0.002	4	109.0390	0.002	4	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:N-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(NC3)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(CH3)	H(CC[5,6]HN)	C(C[5,6]C[5,5,6]C[5,6]C)(NC3)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CHHN)(CH3){1|C<3>,4|H<1>}	H(CC[5,6]HN)	109.6925	3.958	2	109.6925	15.663	2	109.6925	15.663	2	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:1:1:	4:4:4:4:	4:	C[5,6]-4:N[5]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(N[5]C[5]2C)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN[5]HH)(CH3)	H(CC[5,6]N[5]H)	C(C[5,6]C[5,5,6]C[5,6]C)(N[5]C[5]2C)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CN[5]HH)(CH3){1|C<3>,4|H<1>}	H(CC[5,6]N[5]H)	106.9843	0.036	4	106.9843	0.001	4	106.9843	0.001	4	107.7655	2.639	103	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:2:1:	3:3:4:4:	4:	C[5,6]-4:C-4:O-2:H-1:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[6]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]HH)(CCHO)	H(CC[5,6]CO)	C(C[5,6]C[5,6]C[5]C[6])(CC[6]HH)(OC)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]HH)(CCHO){2|C<3>,2|H<1>,5|C<4>}	H(CC[5,6]CO)	107.0210	0.000	1	107.0210	0.000	1	107.0210	0.000	1	107.0210	0.000	1	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:2:1:	3:4:4:4:	4:	C[5,6]-4:C-4:O-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(OH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CCHO)	H(CC[5,6]CO)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(OH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(CCHO){2|C<3>,2|C<4>,4|H<1>}	H(CC[5,6]CO)	108.8705	0.130	4	108.8705	0.017	4	108.8705	0.017	4	108.8705	0.017	4	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C-4:O-2:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6,6]C[6]O[5])(CH3)(OH)(H)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CCHO)	H(CC[5,6]CO)	C(C[5,6]C[5,6,6]C[6]O[5])(CH3)(OH)(H)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CCHO){3|C<4>}	H(CC[5,6]CO)	102.7460	0.000	1	102.7460	0.000	1	102.7460	0.000	1	106.7688	6.715	5	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(CH3)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO)	H(CC[5,6]CO)	C(C[5,6]C[5,6]C[6]O[5])(CH3)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO){1|O<1>,2|C<4>,4|H<1>}	H(CC[5,6]CO)	107.9610	0.000	1	108.4903	0.241	3	108.4903	0.241	3	106.7688	6.715	5	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C-4:O-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(CH3)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO)	H(CC[5,6]CO)	C(C[5,6]C[5,6]C[6]O[5])(CH3)(OH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO){2|C<4>,2|O<1>,4|H<1>}	H(CC[5,6]CO)	108.7550	0.249	2	108.4903	0.241	3	108.4903	0.241	3	106.7688	6.715	5	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:2:1:	4:4:2:4:	4:	C[5,6]-4:C[6]-4:O-2:H-1:	C[5,6]-4:C[5]-4:O[6]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[5]O[6])(C[6]C[6]2H)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6])(CC[6]HO)	H(CC[5,6]C[6]O)	C(C[5,6]C[5,6]C[5]O[6])(C[6]C[6]2H)(OH)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(O[6]C[6])(CC[6]HO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5,6]C[6]O)	105.6270	0.000	1	105.6270	0.000	1	105.6270	0.000	1	106.7688	6.715	5	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C-4:O-2:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]2H)(CHHO)(OC)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CCHO)(H)	H(CC[5,6]CO)	C(C[5,6]C[5,5,6]2H)(CHHO)(OC)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(CCHO)(H){1|C<4>,1|I<1>,1|O<1>,1|O<2>,4|H<1>}	H(CC[5,6]CO)	108.7730	0.000	1	108.7730	0.000	1	108.7730	0.000	1	107.6070	1.872	5	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHO)(H)	H(CC[5,6]CO)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCHO)(H){1|C<3>,4|H<1>}	H(CC[5,6]CO)	105.2760	0.000	1	105.2760	0.000	1	107.3155	1.929	4	107.6070	1.872	5	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C-4:O-2:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(CCHO)(H)	H(CC[5,6]CO)	C(C[5,6]C[5,5,6]C[5,6]H)(CHHO)(OH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CN)(CCHO)(H){1|C<4>,5|H<1>}	H(CC[5,6]CO)	107.9953	0.347	3	107.9953	0.121	3	107.3155	1.929	4	107.6070	1.872	5	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]CH)(CCHO)	H(CC[5,6]CO)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(OC)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HO)(C[6]C[6]CH)(CCHO){1|O<2>,2|C<4>,3|H<1>}	H(CC[5,6]CO)	109.4414	0.270	5	109.4414	0.073	5	109.4414	0.073	5	109.4952	0.068	10	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	H(CC[5,6]C[5]O)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){3|H<1>,4|C<4>}	H(CC[5,6]C[5]O)	109.2860	0.000	1	109.2860	0.000	1	109.5490	0.073	5	109.4952	0.068	10	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	H(CC[5,6]C[5]O)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){1|C<3>,2|H<1>,3|C<4>}	H(CC[5,6]C[5]O)	109.7345	0.121	2	109.6148	0.068	4	109.5490	0.073	5	109.4952	0.068	10	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO)	H(CC[5,6]C[5]O)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]HO)(CC[5]HO){2|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]C[5]O)	109.4950	0.365	2	109.6148	0.068	4	109.5490	0.073	5	109.4952	0.068	10	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:3:1:	3:2:3:4:	4:	C[5,6]-4:C-4:N-3:H-1:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	H(CC[5,6]CN)	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN){1|C<4>,2|C<3>,3|H<1>}	H(CC[5,6]CN)	106.2660	0.000	1	106.3110	0.004	2	106.3110	0.004	2	106.3110	0.004	2	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:3:1:	3:2:3:4:	4:	C[5,6]-4:C-4:N-3:H-1:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	H(CC[5,6]CN)	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN){3|C<3>,3|H<1>}	H(CC[5,6]CN)	106.3560	0.000	1	106.3110	0.004	2	106.3110	0.004	2	106.3110	0.004	2	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:3:1:	3:3:4:4:	4:	C[5,6]-4:C-4:C-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)(CCO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCCH)	H(CC[5,6]CC)	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)(CCO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCCH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(CC[5,6]CC)	106.5730	0.000	1	106.5730	0.000	1	106.5730	0.000	1	106.5730	0.000	1	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:3:1:	4:4:3:4:	4:	C[5,6]-4:C-4:C-3:H-1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C-4:	C(C[5,6]C[5,5,6]C[5]C[6])(CH3)(COO)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CCCH)	H(CC[5,6]CC)	C(C[5,6]C[5,5,6]C[5]C[6])(CH3)(COO)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CCCH){1|C<3>,3|C<4>,5|H<1>}	H(CC[5,6]CC)	106.7750	1.171	2	106.7750	1.371	2	106.7750	1.371	2	106.7750	1.371	2	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:3:1:	4:4:4:1:	4:	C[5,6]-4:C-4:C-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,6]2H)(CH3)(CHH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H)	H(CC[5,6]CC)	C(C[5,6]C[5,6]2H)(CH3)(CHH)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5,6]CC)	104.8720	0.000	1	104.8720	0.000	1	104.8720	0.000	1	104.8720	0.000	1	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(CC[6a]O)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCCH)(COO)	H(CC[5,6]CC)	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(CC[6a]O)(H)	C[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCCH)(COO){1|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]CC)	107.8655	0.087	2	107.8655	0.008	2	107.7943	0.080	4	107.7943	0.080	4	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:3:1:	4:4:4:3:	4:	C[5,6]-4:C-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(CC[6a]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCCH)(COO)	H(CC[5,6]CC)	C(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]HH)(CC[6a]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CCCH)(COO){1|C<3>,4|H<1>}	H(CC[5,6]CC)	107.7230	0.461	2	107.7230	0.213	2	107.7943	0.080	4	107.7943	0.080	4	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C-4:C-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CH3)(CCO)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH)	H(CC[5,6]CC)	C(C[5,6]C[5,6]C[5]C[6])(CH3)(CCO)(H)	C[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(CC[5,6]CC)	107.7400	0.000	1	107.7400	0.000	1	107.7400	0.000	1	107.7400	0.000	1	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:4:1:	2:3:4:4:	4:	C[5,6]-4:C-4:C-4:H-1:	O[5,6]-2:C[6]-3:C[5]-4:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]C[5]HH)(CCCH)	H(CC[5,6]CC)	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]C[5]HH)(CCCH){1|O<2>,2|H<1>,3|C<4>}	H(CC[5,6]CC)	107.4030	0.000	1	107.4030	0.000	1	107.4030	0.000	1	107.4030	0.000	1	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:4:1:	2:4:2:4:	4:	C[5,6]-4:C-4:C-4:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(CH3)2(H)	C[5,6](O[5,6]C[5,5,6,6])(C[6]C[5,3x6]HH)(O[5]C[5,5,6])(CCCH)	H(CC[5,6]CC)	C(C[5,6]O[5,6]C[6]O[5])(CH3)2(H)	C[5,6](O[5,6]C[5,5,6,6])(C[6]C[5,3x6]HH)(O[5]C[5,5,6])(CCCH){2|O<2>,4|C<4>}	H(CC[5,6]CC)	107.1210	0.000	1	107.1210	0.000	1	107.3143	0.044	3	107.3143	0.044	3	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:4:1:	2:4:2:4:	4:	C[5,6]-4:C-4:C-4:H-1:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]O[5,6]C[6]O[5])(CH3)2(H)	C[5,6](O[5,6]C[5,6,6])(C[6]C[3x6]HH)(O[5]C[5,6])(CCCH)	H(CC[5,6]CC)	C(C[5,6]O[5,6]C[6]O[5])(CH3)2(H)	C[5,6](O[5,6]C[5,6,6])(C[6]C[3x6]HH)(O[5]C[5,6])(CCCH){2|O<2>,4|C<4>}	H(CC[5,6]CC)	107.4110	0.178	2	107.4110	0.032	2	107.3143	0.044	3	107.3143	0.044	3	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:4:1:	3:3:4:4:	4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)2(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCCH)	H(CC[5,6]CC)	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)2(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,5|H<1>}	H(CC[5,6]CC)	107.1220	0.000	1	107.1220	0.000	1	107.1220	0.000	1	107.1220	0.000	1	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:4:1:	3:4:2:4:	4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-3:C[5,6]-4:S[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]2S[5])(CH3)2(H)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CCCH)	H(CC[5,6]CC)	C(C[5,6]C[5,6]2S[5])(CH3)2(H)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CCCH){1|C<4>,5|C<3>}	H(CC[5,6]CC)	106.4940	0.074	2	106.4940	0.005	2	106.4940	0.005	2	106.1583	0.341	3	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:4:1:	3:4:2:4:	4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5,6]C[5,6]C[6]O[5])(CC[6a]HH)(CH3)(H)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CCCH)	H(CC[5,6]CC)	C(C[5,6]C[5,6]C[6]O[5])(CC[6a]HH)(CH3)(H)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CCCH){1|C<3>,5|H<1>}	H(CC[5,6]CC)	105.4870	0.000	1	105.4870	0.000	1	105.4870	0.000	1	106.1583	0.341	3	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C-4:C-4:H-1:	C[3,6]-4:O[5,6]-2:C[5]-4:C-4:	C-4:	C(C[5,6]C[3,6]O[5,6]C[5])(CH3)2(H)	C[5,6](C[3,6]C[3,5,6]O[3]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	H(CC[5,6]CC)	C(C[5,6]C[3,6]O[5,6]C[5])(CH3)2(H)	C[5,6](C[3,6]C[3,5,6]O[3]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){2|H<1>,3|C<4>}	H(CC[5,6]CC)	107.1300	0.000	1	107.1300	0.000	1	107.1300	0.000	1	106.8617	0.602	6	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C-4:C-4:H-1:	C[5]-4:O[5,6]-2:C[6]-4:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(CCCH)	H(CC[5,6]CC)	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(CCCH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(CC[5,6]CC)	107.2740	0.000	1	107.2740	0.000	1	107.2740	0.000	1	106.8617	0.602	6	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C-4:C-4:H-1:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	H(CC[5,6]CC)	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){1|C<3>,2|C<4>,2|H<1>}	H(CC[5,6]CC)	107.0810	0.000	1	106.6915	0.883	4	106.6915	0.883	4	106.8617	0.602	6	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C-4:C-4:H-1:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	H(CC[5,6]CC)	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){1|C<3>,2|H<1>,3|C<4>}	H(CC[5,6]CC)	107.2380	0.000	1	106.6915	0.883	4	106.6915	0.883	4	106.8617	0.602	6	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:4:1:	4:2:4:4:	4:	C[5,6]-4:C-4:C-4:H-1:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C-4:	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	H(CC[5,6]CC)	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){3|C<4>,3|H<1>}	H(CC[5,6]CC)	106.2235	1.327	2	106.6915	0.883	4	106.6915	0.883	4	106.8617	0.602	6	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:4:1:	4:3:2:4:	4:	C[5,6]-4:C-4:C-4:H-1:	C[3,5,6]-4:C[6]-3:O[5]-2:C-4:	C-4:	C(C[5,6]C[3,5,6]C[6]O[5])(CH3)2(H)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]H)(O[5]C[5])(CCCH)	H(CC[5,6]CC)	C(C[5,6]C[3,5,6]C[6]O[5])(CH3)2(H)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]H)(O[5]C[5])(CCCH){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	H(CC[5,6]CC)	108.1180	0.000	1	108.1180	0.000	1	108.1180	0.000	1	108.1180	0.000	1	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCH)(H)	H(CC[5,6]CC)	C(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCCH)(H){1|C<4>,1|P<4>,4|H<1>}	H(CC[5,6]CC)	108.3050	0.000	1	108.3050	0.000	1	108.3050	0.000	1	112.3710	49.026	3	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,6]2H)(CH3)2(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H)	H(CC[5,6]CC)	C(C[5,6]C[5,6]2H)(CH3)2(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(CC[5,6]CC)	108.3520	0.000	1	114.4040	73.253	2	114.4040	73.253	2	112.3710	49.026	3	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:4:1:	4:4:4:1:	4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,6]2H)(CH3)2(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H)	H(CC[5,6]CC)	C(C[5,6]C[5,6]2H)(CH3)2(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]H)(CCCH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5,6]CC)	120.4560	0.000	1	114.4040	73.253	2	114.4040	73.253	2	112.3710	49.026	3	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:4:1:	4:4:4:3:	4:	C[5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-3:	C-4:	C(C[5,6]C[5,5,6]C[5,6]C)(CH3)2(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(CCCH)(CCH)	H(CC[5,6]CC)	C(C[5,6]C[5,5,6]C[5,6]C)(CH3)2(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5]C[6]H)(CCCH)(CCH){1|H<1>,1|N<2>,5|C<3>}	H(CC[5,6]CC)	106.2780	0.000	1	106.2780	0.000	1	106.2780	0.000	1	106.2780	0.000	1	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCCH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH)	H(CC[5,6]CC)	C(C[5,6]C[5,6]C[5]C[6])(CCCH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH){1|O<1>,3|C<4>,4|H<1>}	H(CC[5,6]CC)	109.3990	0.000	1	109.3990	0.000	1	107.6133	2.235	11	107.6133	2.235	11	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5,6]	H	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH)	H(CC[5,6]CC)	C(C[5,6]C[5,6]C[5]C[6])(CCHO)(CH3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(CCCH){1|O<1>,3|C<4>,4|H<1>}	H(CC[5,6]CC)	107.4347	1.447	10	107.4347	2.093	10	107.6133	2.235	11	107.6133	2.235	11	109.4625	1.082	7375	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:3:4:1:	3:3:4:4:	4:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]2H)(CC[6a]HH)	H(CC[6a]2C[5])	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]2H)(CC[6a]HH){1|C<3>}	H(CC[6a]2C[5])	104.7460	0.000	1	104.7460	0.000	1	104.7460	0.000	1	104.7460	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:3:4:1:	4:2:2:1:	4:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C-4:O[5]-2:O[5]-2:H-1:	C-4:	C(C[6a]C[6a]2)2(C[5]O[5]2H)(H)	C[5](CC[6a]2H)(O[5]C[5])2(H)	H(CC[6a]2C[5])	C(C[6a]C[6a]2)2(C[5]O[5]2H)(H)	C[5](CC[6a]2H)(O[5]C[5])2(H){4|H<1>}	H(CC[6a]2C[5])	106.3560	0.496	2	106.3560	0.246	2	106.3560	0.246	2	106.3560	0.246	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:3:4:1:	4:3:4:3:	4:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]2H)(COO)	H(CC[6a]2C[5])	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]2H)(COO){4|H<1>}	H(CC[6a]2C[5])	105.7180	0.000	1	105.7180	0.000	1	105.7180	0.000	1	105.7180	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:3:4:1:	4:3:4:4:	4:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:C-4:P-4:	C-4:	C(C[6a]C[6a]2)2(C[5]C[5]2P)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]2H)(PO3)	H(CC[6a]2C[5])	C(C[6a]C[6a]2)2(C[5]C[5]2P)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]2H)(PO3){4|H<1>}	H(CC[6a]2C[5])	104.8390	0.000	1	104.8390	0.000	1	104.8390	0.000	1	104.8390	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:3:4:1:	4:4:4:4:	4:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HO)2(CC[6a]2H)(CH3)	H(CC[6a]2C[5])	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[5](C[5]C[5,6a]HO)2(CC[6a]2H)(CH3){2|C<3>}	H(CC[6a]2C[5])	105.4800	0.000	1	105.4800	0.000	1	105.4800	0.000	1	105.4800	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	2:2:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:H-1:	C-4:	C(N[5]C[5,6a]C[5])(C[5]O[5]2H)(H)2	C[5](O[5]C[5])2(CN[5]HH)(H)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[5]O[5]2H)(H)2	C[5](O[5]C[5])2(CN[5]HH)(H){4|H<1>}	H(CC[5]N[5]H)	109.1890	0.006	2	109.1890	0.000	2	109.1890	0.000	2	108.8902	0.055	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	2:2:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	S[5]-2:S[5]-2:C-4:H-1:	C-4:	C(N[5]C[5,6]C[5])(C[5]S[5]2H)(H)2	C[5](S[5]C[5])2(CN[5]HH)(H)	H(CC[5]N[5]H)	C(N[5]C[5,6]C[5])(C[5]S[5]2H)(H)2	C[5](S[5]C[5])2(CN[5]HH)(H){4|H<1>}	H(CC[5]N[5]H)	108.7408	0.044	4	108.7408	0.002	4	108.7408	0.002	4	108.8902	0.055	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	2:2:4:4:	4:	C[6]-3:C[5]-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[6]C[6,6]C[6])(C[5]O[5]2C)(H)2	C[5](O[5]C[5])2(CC[6]HH)(CH3)	H(CC[5]C[6]H)	C(C[6]C[6,6]C[6])(C[5]O[5]2C)(H)2	C[5](O[5]C[5])2(CC[6]HH)(CH3){4|H<1>}	H(CC[5]C[6]H)	108.4137	0.073	4	108.4137	0.005	4	108.4137	0.005	4	108.4137	0.005	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	2:3:4:4:	4:	C[5]-3:C[5]-4:H-1:H-1:	O[5]-2:C[5]-3:C-4:P-4:	C-4:	C(C[5]N[5,6a]C[5])(C[5]C[5]O[5]P)(H)2	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[5]HH)(PO3)	H(CC[5]2H)	C(C[5]N[5,6a]C[5])(C[5]C[5]O[5]P)(H)2	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[5]HH)(PO3){2|O<2>}	H(CC[5]2H)	109.0480	0.030	2	109.0480	0.001	2	109.0480	0.001	2	109.0480	0.001	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:2:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:S-4:	C-4:	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5]S)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(SC[6a]OO)	H(CC[6a]C[5]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5]S)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(SC[6a]OO){2|C<3>}	H(CC[6a]C[5]H)	109.3605	0.050	2	109.3605	0.003	2	109.3605	0.003	2	109.3605	0.003	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:1:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5a]HH)(H)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5a]HH)(H){1|C<4>,1|S<1>}	H(CC[5a]C[5]H)	108.9560	0.010	2	108.9560	0.000	2	108.9560	0.000	2	108.5111	0.171	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2H)(H)2	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]N[5]2H)(H)2	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CC[6a]HH)(H){4|C<3>}	H(CC[6a]C[5]H)	108.8285	0.039	2	108.8285	0.002	2	108.3628	0.134	6	108.5111	0.171	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2H)(H)2	C[5](N[5]C[5]C)2(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]N[5]2H)(H)2	C[5](N[5]C[5]C)2(CC[6a]HH)(H){2|O<1>}	H(CC[6a]C[5]H)	108.1300	0.080	4	108.1300	0.006	4	108.3628	0.134	6	108.5111	0.171	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:2:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	109.0785	0.018	2	109.0785	0.000	2	109.0785	0.000	2	109.2937	0.352	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:2:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:S-2:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a])	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a]){2|C<4>}	H(CC[6a]C[5]H)	109.0310	0.000	1	109.0310	0.000	1	109.4190	0.650	6	109.2937	0.352	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:2:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:S-2:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(SC[6a])	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(SC[6a]){3|C<3>}	H(CC[6a]C[5]H)	109.8158	0.587	4	109.8158	0.344	4	109.4190	0.650	6	109.2937	0.352	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:2:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:S-2:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a])	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a]){1|C<3>}	H(CC[6a]C[5]H)	108.2200	0.000	1	108.2200	0.000	1	109.4190	0.650	6	109.2937	0.352	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:2:	4:	C[6a]-3:C[5]-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2O)(H)2	C[5](N[5]C[5]C)2(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]N[5]2O)(H)2	C[5](N[5]C[5]C)2(CC[6a]HH)(OH){1|C<4>,1|H<1>,1|O<1>}	H(CC[6a]C[5]H)	109.1867	0.155	3	109.1867	0.024	3	109.1867	0.024	3	109.2937	0.352	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:3:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]C)(C[5]N[5]H)(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]C)(C[5]N[5]H)(CC[6a]HH)(COO){1|C<3>,1|C<4>}	H(CC[6a]C[5]H)	101.1443	3.276	2	101.1443	10.734	2	104.8879	22.265	4	104.8879	22.265	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:3:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(CC[6a]C)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(CC[6a]C){3|C<3>}	H(CC[6a]C[5]H)	108.6315	0.060	2	108.6315	0.004	2	104.8879	22.265	4	104.8879	22.265	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:4:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CHHO)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CHHO){1|Cl<1>,3|C<3>}	H(CC[5a]C[5]H)	108.8200	0.044	2	108.8200	0.002	2	108.8200	0.002	2	108.4574	0.397	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2C)(H)2	C[5](C[5]C[5,6a]O)2(CC[6a]HH)(CHHN)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2C)(H)2	C[5](C[5]C[5,6a]O)2(CC[6a]HH)(CHHN){2|C<3>}	H(CC[6a]C[5]H)	108.3485	0.033	2	108.3485	0.001	2	108.4657	0.330	81	108.4574	0.397	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2C)(H)2	C[5](C[5]C[5]O)2(CC[6a]HH)(CHHN)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2C)(H)2	C[5](C[5]C[5]O)2(CC[6a]HH)(CHHN){4|H<1>}	H(CC[6a]C[5]H)	108.0263	0.029	4	108.0263	0.001	4	108.4657	0.330	81	108.4574	0.397	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){1|H<1>,3|C<4>}	H(CC[6a]C[5]H)	108.1520	0.091	4	108.5886	0.211	10	108.4657	0.330	81	108.4574	0.397	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	H(CC[6a]C[5]H)	108.8797	0.347	6	108.5886	0.211	10	108.4657	0.330	81	108.4574	0.397	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5,6,6]O)2(CC[6a]HH)(CH3)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5,6,6]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	H(CC[6a]C[5]H)	108.4087	0.192	4	108.4087	0.037	4	108.4657	0.330	81	108.4574	0.397	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5,6a]O)2(CC[6a]HH)2	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5,6a]O)2(CC[6a]HH)2{2|C<3>}	H(CC[6a]C[5]H)	108.5643	0.418	12	108.5643	0.175	12	108.4657	0.330	81	108.4574	0.397	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)2	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)2{1|C<3>,1|C<4>}	H(CC[6a]C[5]H)	106.7840	1.118	4	106.7840	1.251	4	108.4657	0.330	81	108.4574	0.397	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<3>,1|H<1>}	H(CC[6a]C[5]H)	108.1195	0.005	2	108.5830	0.147	17	108.4657	0.330	81	108.4574	0.397	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	H(CC[6a]C[5]H)	108.9560	0.350	5	108.5830	0.147	17	108.4657	0.330	81	108.4574	0.397	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,3|H<1>}	H(CC[6a]C[5]H)	108.6770	0.013	2	108.5830	0.147	17	108.4657	0.330	81	108.4574	0.397	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|H<1>,1|N<3>}	H(CC[6a]C[5]H)	108.4423	0.282	8	108.5830	0.147	17	108.4657	0.330	81	108.4574	0.397	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]2H)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]2H)(CC[6a]HH){1|C<3>}	H(CC[6a]C[5]H)	108.4785	0.008	2	108.4785	0.000	2	108.4657	0.330	81	108.4574	0.397	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<3>}	H(CC[6a]C[5]H)	108.7849	0.241	19	108.7849	0.058	19	108.4657	0.330	81	108.4574	0.397	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCHH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCHH){1|C<3>}	H(CC[6a]C[5]H)	108.2443	0.268	7	108.2443	0.072	7	108.4657	0.330	81	108.4574	0.397	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:3:4:4:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(N[5]C[5,6a]C[5,5])(C[5]C[5]2C)(H)2	C[5](C[5]C[5]O)2(CN[5]HH)(CH3)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5,5])(C[5]C[5]2C)(H)2	C[5](C[5]C[5]O)2(CN[5]HH)(CH3){2|C<4>}	H(CC[5]N[5]H)	107.7580	2.379	2	107.7580	5.658	2	107.7580	5.658	2	108.4574	0.397	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:4:2:2:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C-4:O[5]-2:O[5]-2:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	H(CN[5a]C[5]H)	108.9450	0.054	2	108.7190	0.069	4	108.7190	0.069	4	108.7190	0.069	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:4:2:2:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C-4:O[5]-2:O[5]-2:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,2|C<3>,5|H<1>}	H(CN[5a]C[5]H)	108.4930	0.010	2	108.7190	0.069	4	108.7190	0.069	4	108.7190	0.069	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:4:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]3)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]2C)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]3)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]2C)(C[5]N[5]O)(CC[6a]HH){1|N<2>,1|N<3>,1|O<1>,4|C<3>}	H(CC[6a]C[5]H)	108.0390	0.059	3	108.0390	0.004	3	108.0390	0.004	3	108.0390	0.004	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:4:4:1:	4:	C[5a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5](N[5]C[5,5]H)(C[5]C[5]HN)(CC[5a]HH)(H)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5](N[5]C[5,5]H)(C[5]C[5]HN)(CC[5a]HH)(H){1|H<1>,3|C<3>}	H(CC[5a]C[5]H)	109.0715	0.019	2	109.0715	0.000	2	109.0715	0.000	2	109.0122	0.006	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:4:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[4,5]O)(C[5]C[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[4,5]O)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	H(CC[6a]C[5]H)	108.9530	0.061	2	108.9530	0.004	2	108.9530	0.004	2	109.0122	0.006	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:4:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]HH)(CH3)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]HH)(CH3){1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.5500	0.000	1	108.5500	0.000	1	108.5500	0.000	1	108.5183	0.002	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	3:4:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HH)(CH3)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HH)(CH3){1|H<1>,4|C<3>}	H(CC[6a]C[5]H)	108.5025	0.049	2	108.5025	0.002	2	108.5025	0.002	2	108.5183	0.002	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:2:2:1:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C-4:O[5]-2:O[5]-2:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	C[5](CN[5a]HH)(O[5]C[5])2(H)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	C[5](CN[5a]HH)(O[5]C[5])2(H){4|H<1>}	H(CN[5a]C[5]H)	109.0804	0.245	9	109.0804	0.060	9	109.0804	0.060	9	109.0804	0.060	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:2:2:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]O[5]2C)(H)2	C[5](CC[6a]HH)(O[5]C[5])2(CH3)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]O[5]2C)(H)2	C[5](CC[6a]HH)(O[5]C[5])2(CH3){4|H<1>}	H(CC[6a]C[5]H)	109.1423	0.996	8	109.1423	0.992	8	109.1423	0.992	8	109.1423	0.992	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CC[5a]HH)(H)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CC[5a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5a]C[5]H)	108.8040	0.007	2	108.8040	0.000	2	108.8040	0.000	2	109.0269	0.818	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:2:4:1:	4:	C[6]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[6]C[5,6]C[6])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CC[6]HH)(H)	H(CC[5]C[6]H)	C(C[6]C[5,6]C[6])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CC[6]HH)(H){1|H<1>,3|C<4>}	H(CC[5]C[6]H)	109.3570	0.258	4	109.3570	0.066	4	109.3570	0.066	4	109.0269	0.818	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:2:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CN[5]HH)(H)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CN[5]HH)(H){1|C<3>}	H(CC[5]N[5]H)	109.9850	1.966	2	109.9850	3.864	2	108.7063	1.661	14	109.0269	0.818	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:2:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CN[5]HH)(H)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CN[5]HH)(H){2|C<4>}	H(CC[5]N[5]H)	108.8458	0.070	4	108.8458	0.005	4	108.7063	1.661	14	109.0269	0.818	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:2:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5]O[5]HH)(O[5]C[5,5])(CN[5]HH)(H)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5]O[5]HH)(O[5]C[5,5])(CN[5]HH)(H){2|C<3>}	H(CC[5]N[5]H)	108.3437	1.614	6	108.3437	2.606	6	108.7063	1.661	14	109.0269	0.818	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:2:4:1:	4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CN[5]HH)(H)	H(CC[5]N[5]H)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CN[5]HH)(H){1|O<1>}	H(CC[5]N[5]H)	108.2365	0.320	2	108.2365	0.103	2	108.7063	1.661	14	109.0269	0.818	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:2:4:1:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H){2|H<1>,2|O<2>}	H(CN[5a]C[5]H)	109.3020	0.594	14	109.3020	0.352	14	109.2878	0.330	15	109.0269	0.818	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:2:4:1:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(CN[5a]HH)(H)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(CN[5a]HH)(H){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	H(CN[5a]C[5]H)	109.0890	0.000	1	109.0890	0.000	1	109.2878	0.330	15	109.0269	0.818	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:2:4:1:	4:	N[6]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(N[6]C[6,6a]C[6])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CN[6]HH)(H)	H(CC[5]N[6]H)	C(N[6]C[6,6a]C[6])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CN[6]HH)(H){1|C<3>}	H(CC[5]N[6]H)	108.8765	0.015	2	108.8765	0.000	2	108.8765	0.000	2	109.0269	0.818	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]N[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]N[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(CC[5a]C[5]H)	108.8376	0.404	8	108.7269	0.107	14	108.7269	0.107	14	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]N[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6]N[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[5a]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CC[5a]C[5]H)	108.5792	0.053	6	108.7269	0.107	14	108.7269	0.107	14	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[5a]HH)(H)	H(CC[5a]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[5a]HH)(H){1|S<4>,2|H<1>}	H(CC[5a]C[5]H)	108.9750	0.010	2	108.9750	0.000	2	108.9750	0.000	2	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(H)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(H){1|C<3>,1|O<1>}	H(CC[5a]C[5]H)	108.5600	0.065	2	108.5600	0.004	2	108.9367	0.175	6	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[5a]HH)(H)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[5a]HH)(H){1|C<4>,3|H<1>}	H(CC[5a]C[5]H)	109.4580	0.024	2	109.4580	0.001	2	108.9367	0.175	6	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[5a]HH)(H)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[5a]HH)(H){1|S<1>}	H(CC[5a]C[5]H)	108.7920	0.017	2	108.7920	0.000	2	108.9367	0.175	6	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	H(CC[6a]C[5]H)	108.5000	0.016	2	108.5000	0.000	2	108.7485	1.450	57	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH)(H){1|C<2>}	H(CC[6a]C[5]H)	108.6115	1.531	2	108.1545	1.123	4	108.7485	1.450	57	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH)(H){1|C<4>,1|H<1>}	H(CC[6a]C[5]H)	107.6975	0.436	2	108.1545	1.123	4	108.7485	1.450	57	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,1|O<1>}	H(CC[6a]C[5]H)	110.4263	0.237	6	110.4263	0.056	6	108.7485	1.450	57	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	H(CC[6a]C[5]H)	108.6587	1.014	4	109.2211	0.704	14	108.7485	1.450	57	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H){1|H<1>,1|O<2>}	H(CC[6a]C[5]H)	110.0050	0.043	4	109.2211	0.704	14	108.7485	1.450	57	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H){2|H<1>}	H(CC[6a]C[5]H)	109.0735	0.664	6	109.2211	0.704	14	108.7485	1.450	57	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	107.9465	0.015	2	107.9465	0.000	2	108.7485	1.450	57	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)(H){1|H<1>,2|C<4>}	H(CC[6a]C[5]H)	109.1000	0.020	2	109.1000	0.000	2	108.7485	1.450	57	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(H){1|C<4>,1|H<1>}	H(CC[6a]C[5]H)	106.1080	2.208	2	106.1080	4.873	2	108.7485	1.450	57	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,2|H<1>}	H(CC[6a]C[5]H)	108.3190	0.540	2	108.2242	1.523	10	108.7485	1.450	57	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	H(CC[6a]C[5]H)	108.3203	1.986	4	108.2242	1.523	10	108.7485	1.450	57	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H){3|H<1>}	H(CC[6a]C[5]H)	108.0807	0.695	4	108.2242	1.523	10	108.7485	1.450	57	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]HH)(H){2|H<1>}	H(CC[6a]C[5]H)	107.5190	2.249	2	107.5190	5.056	2	108.7485	1.450	57	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HO)(C[5]O[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HO)(C[5]O[5]O)(CC[6a]HH)(H){2|H<1>}	H(CC[6a]C[5]H)	109.2215	0.011	2	109.2215	0.000	2	108.7485	1.450	57	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,4|C<3>}	H(CC[6a]C[5]H)	108.2495	0.012	2	108.2495	0.000	2	108.7485	1.450	57	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(H){1|C<4>,3|C<3>}	H(CC[6a]C[5]H)	108.5740	0.024	2	108.5740	0.001	2	108.7485	1.450	57	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]N[5]CH)(C[5]N[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]N[5]CH)(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	H(CC[6a]C[5]H)	108.2475	0.060	2	108.2475	0.004	2	108.7485	1.450	57	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HH)(H){1|S<4>,2|H<1>}	H(CC[6a]C[5]H)	109.1005	0.040	2	109.1005	0.002	2	108.7485	1.450	57	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]O[5]CO)(C[5]O[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]O[5]CO)(C[5]O[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	109.0053	0.058	3	109.0053	0.003	3	108.7485	1.450	57	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(N[5a]C[5a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5a]HH)(H)	H(CN[5a]C[5]H)	C(N[5a]C[5a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5a]HH)(H){1|C<4>,1|H<1>}	H(CN[5a]C[5]H)	109.0180	0.006	2	109.0180	0.000	2	109.0180	0.000	2	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]C)(CN[5a]HH)(H)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]C)(CN[5a]HH)(H){1|O<1>}	H(CN[5a]C[5]H)	110.8610	0.607	2	110.8610	0.368	2	110.8610	0.368	2	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:1:	4:	N[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(N[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CN[6a]HH)(H)	H(CN[6a]C[5]H)	C(N[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CN[6a]HH)(H){2|H<1>}	H(CN[6a]C[5]H)	111.6300	2.473	2	111.6300	6.118	2	111.6300	6.118	2	108.8874	1.361	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:2:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(OH){1|C<4>,1|H<1>}	H(CC[6a]C[5]H)	108.4165	0.030	2	108.4165	0.001	2	108.4484	0.028	9	108.4484	0.028	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:2:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CC[6a]HH)(OH){1|C<4>,1|O<1>,2|C<3>}	H(CC[6a]C[5]H)	108.2685	0.078	2	108.2685	0.006	2	108.4484	0.028	9	108.4484	0.028	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:2:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]HH)(OH){2|H<1>}	H(CC[6a]C[5]H)	108.3525	0.021	2	108.3525	0.000	2	108.4484	0.028	9	108.4484	0.028	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:2:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	C[5](C[5]O[5]HH)(C[5]N[5]O)(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	C[5](C[5]O[5]HH)(C[5]N[5]O)(CC[6a]HH)(OH){1|H<1>}	H(CC[6a]C[5]H)	108.6537	0.043	3	108.6537	0.002	3	108.4484	0.028	9	108.4484	0.028	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5a]C[5a]N[5a])(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[5a]HH)(COO)	H(CC[5a]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[5a]HH)(COO){1|C<3>}	H(CC[5a]C[5]H)	109.0260	0.006	2	109.0260	0.000	2	109.0260	0.000	2	108.2736	0.525	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]C)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(CC[5a]HH)(COO)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]C)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(CC[5a]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	H(CC[5a]C[5]H)	108.7130	0.031	2	108.7130	0.001	2	109.0084	0.043	7	108.2736	0.525	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]C)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[5a]HH)(COO)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]C)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[5a]HH)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[5a]C[5]H)	109.1266	0.052	5	109.1266	0.003	5	109.0084	0.043	7	108.2736	0.525	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:N-3:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]N)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NCH)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]N)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NCH){1|O<1>,2|H<1>}	H(CC[5a]C[5]H)	107.7985	0.109	4	107.7985	0.012	4	107.9102	0.037	6	108.2736	0.525	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:N-3:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]N)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NHH)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]N)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NHH){1|O<1>,2|H<1>}	H(CC[5a]C[5]H)	108.1335	0.023	2	108.1335	0.001	2	107.9102	0.037	6	108.2736	0.525	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CC[6a]HH)(COO){1|C<4>,2|H<1>}	H(CC[6a]C[5]H)	108.8695	1.020	2	108.8695	1.041	2	108.4002	0.233	8	108.2736	0.525	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]HH)(COO){3|H<1>}	H(CC[6a]C[5]H)	108.2735	0.006	2	108.2735	0.000	2	108.4002	0.233	8	108.2736	0.525	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]HH)(COO){1|H<1>,3|C<3>}	H(CC[6a]C[5]H)	108.2290	0.024	4	108.2290	0.001	4	108.4002	0.233	8	108.2736	0.525	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:N-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HH)(NCH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HH)(NCH){1|C<4>,1|H<1>,1|S<2>}	H(CC[6a]C[5]H)	105.9215	0.244	2	105.9215	0.060	2	107.9310	0.678	16	108.2736	0.525	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:N-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]O[5]O)(CC[6a]HH)(NCH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]O[5]O)(CC[6a]HH)(NCH){1|C<4>,2|C<3>}	H(CC[6a]C[5]H)	108.2362	0.278	12	108.2362	0.078	12	107.9310	0.678	16	108.2736	0.525	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:N-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(NCH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(NCH){1|C<4>,3|C<3>}	H(CC[6a]C[5]H)	108.1095	0.018	2	108.1095	0.000	2	107.9310	0.678	16	108.2736	0.525	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:4:	4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5])(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[5,5]C[5])(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|C<4>,2|H<1>}	H(CC[5]2H)	108.0417	0.014	3	108.0417	0.000	3	108.0417	0.000	3	108.2529	0.328	15	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)(CH3)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)(CH3){2|C<3>}	H(CC[6a]C[5]H)	108.3335	0.011	2	108.3335	0.000	2	108.3058	0.402	12	108.2529	0.328	15	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)(CH3)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)(CH3){4|H<1>}	H(CC[6a]C[5]H)	108.4110	0.044	3	108.4110	0.002	3	108.3058	0.402	12	108.2529	0.328	15	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(CCFF)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(CCFF){1|C<4>,2|H<1>}	H(CC[6a]C[5]H)	108.6440	0.024	3	108.6440	0.001	3	108.3058	0.402	12	108.2529	0.328	15	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)(CH3)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)(CH3){4|H<1>}	H(CC[6a]C[5]H)	108.9020	0.021	2	108.9020	0.000	2	108.3058	0.402	12	108.2529	0.328	15	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:3:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]C[5]H)	107.0165	0.005	2	107.0165	0.000	2	108.3058	0.402	12	108.2529	0.328	15	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[3,5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[3,5]O[5]H)(H)2	C[5](C[3,5]N[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[3,5]O[5]H)(H)2	C[5](C[3,5]N[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|O<1>}	H(CC[6a]C[5]H)	108.0205	0.046	2	108.0205	0.002	2	108.0205	0.002	2	109.0952	0.528	25	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:2:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]CC)(CC[6a]HH)(O[5]N[5])(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]CC)(CC[6a]HH)(O[5]N[5])(H){1|C<3>}	H(CC[6a]C[5]H)	108.8423	0.233	4	108.8423	0.054	4	108.8423	0.054	4	109.0952	0.528	25	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C-4:O[5]-2:H-1:	C-4:	C(N[5a]C[5a,6]N[5a])(C[5]C[5,5]O[5]H)(H)2	C[5](C[5,5]C[5,5]O[5]H)(CN[5a]HH)(O[5]C[5])(H)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6]N[5a])(C[5]C[5,5]O[5]H)(H)2	C[5](C[5,5]C[5,5]O[5]H)(CN[5a]HH)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>}	H(CN[5a]C[5]H)	109.4485	0.073	2	109.4485	0.005	2	109.4485	0.005	2	109.0952	0.528	25	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])(H)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>}	H(CN[5a]C[5]H)	108.8106	0.186	5	108.8106	0.035	5	109.2396	0.583	17	109.0952	0.528	25	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]N[5])(H)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]N[5])(H){1|C<3>}	H(CN[5a]C[5]H)	109.2433	0.096	3	109.2433	0.009	3	109.2396	0.583	17	109.0952	0.528	25	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H){1|C<3>,1|C<4>}	H(CN[5a]C[5]H)	108.9815	0.344	4	108.9704	0.089	5	109.2396	0.583	17	109.0952	0.528	25	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H){2|C<4>}	H(CN[5a]C[5]H)	108.9260	0.000	1	108.9704	0.089	5	109.2396	0.583	17	109.0952	0.528	25	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]N[5])(H)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]N[5])(H){1|C<3>}	H(CN[5a]C[5]H)	111.1550	0.362	2	111.1550	0.131	2	109.2396	0.583	17	109.0952	0.528	25	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:2:1:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H){1|C<3>,1|C<4>}	H(CN[5a]C[5]H)	109.0640	0.027	2	109.0640	0.001	2	109.2396	0.583	17	109.0952	0.528	25	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:2:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:N[5]-2:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]C)(H)2	C[5](C[5]O[5]HH)(CN[5a]HH)(N[5]C[5])(CH3)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]C)(H)2	C[5](C[5]O[5]HH)(CN[5a]HH)(N[5]C[5])(CH3){1|C<3>}	H(CN[5a]C[5]H)	108.8340	0.006	2	108.8340	0.000	2	108.8340	0.000	2	108.8340	0.000	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:3:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C-4:C[5]-3:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H)	H(CC[5,6]C[5]H)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H){1|O<1>}	H(CC[5,6]C[5]H)	108.8100	0.252	21	108.8100	0.063	21	108.8100	0.063	21	108.8100	0.063	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:3:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]3)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(C[5]C[5]2)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]3)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(C[5]C[5]2)(CC[6a]HH){3|H<1>,4|C<3>}	H(CC[6a]C[5]H)	108.3240	0.000	1	108.3240	0.000	1	108.3240	0.000	1	108.3240	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5,6]HH)(H)	H(CC[5,6]C[5]H)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5,6]HH)(H){1|O<1>}	H(CC[5,6]C[5]H)	108.5695	0.035	2	108.5695	0.001	2	108.5695	0.001	2	108.7481	0.417	53	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5a]C[5a]O[5a])(C[5]C[5]2H)(H)2	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CC[5a]HH)(H)	H(CC[5a]C[5]H)	C(C[5a]C[5a]O[5a])(C[5]C[5]2H)(H)2	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CC[5a]HH)(H){1|C<3>,1|O<1>}	H(CC[5a]C[5]H)	108.1685	0.049	2	108.1685	0.002	2	108.1685	0.002	2	108.7481	0.417	53	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CC[5a]HH)(H)	H(CC[5a]C[5]H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CC[5a]HH)(H){4|H<1>}	H(CC[5a]C[5]H)	109.0020	0.004	2	109.0020	0.000	2	109.0020	0.000	2	108.7481	0.417	53	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(Br)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]BrH)(H)	H(CC[6a]C[5]Br)	C(C[6a]C[6a]2)(C[5]C[5]2H)(Br)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]BrH)(H){1|O<1>,1|S<4>}	H(CC[6a]C[5]Br)	107.6880	0.000	1	107.6880	0.000	1	107.6880	0.000	1	108.7481	0.417	53	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.3945	0.005	2	108.3945	0.000	2	108.7297	0.425	42	108.7481	0.417	53	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]2H)(C[5]N[5]CH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]2H)(C[5]N[5]CH)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(CC[6a]C[5]H)	108.6423	0.233	4	108.6423	0.054	4	108.7297	0.425	42	108.7481	0.417	53	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HH)(H){4|H<1>}	H(CC[6a]C[5]H)	108.5110	0.613	4	108.5110	0.376	4	108.7297	0.425	42	108.7481	0.417	53	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.5940	0.000	1	108.4616	0.021	5	108.7297	0.425	42	108.7481	0.417	53	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)(H){2|H<1>,2|O<2>}	H(CC[6a]C[5]H)	108.4285	0.145	4	108.4616	0.021	5	108.7297	0.425	42	108.7481	0.417	53	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H){1|O<1>}	H(CC[6a]C[5]H)	108.5547	1.079	10	108.7041	1.077	12	108.7297	0.425	42	108.7481	0.417	53	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)(H){2|H<1>}	H(CC[6a]C[5]H)	109.4510	0.188	2	108.7041	1.077	12	108.7297	0.425	42	108.7481	0.417	53	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CC[6a]HH)(H){1|O<1>}	H(CC[6a]C[5]H)	108.6715	0.523	6	108.6715	0.274	6	108.7297	0.425	42	108.7481	0.417	53	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)(H){4|H<1>}	H(CC[6a]C[5]H)	109.0540	0.000	1	109.0540	0.000	1	108.7297	0.425	42	108.7481	0.417	53	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]HH)(H){1|H<1>,1|O<1>}	H(CC[6a]C[5]H)	109.3715	0.005	2	109.3715	0.000	2	108.7297	0.425	42	108.7481	0.417	53	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]SiH)(C[5]N[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]SiH)(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,2|H<1>}	H(CC[6a]C[5]H)	108.9785	0.029	4	108.9785	0.001	4	108.7297	0.425	42	108.7481	0.417	53	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|O<1>,3|C<3>}	H(CC[6a]C[5]H)	109.3750	0.059	2	109.3750	0.004	2	108.7297	0.425	42	108.7481	0.417	53	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:1:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	C[5](C[5]N[5]CH)(C[5]O[5]CH)(CN[5a]HH)(H)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	C[5](C[5]N[5]CH)(C[5]O[5]CH)(CN[5a]HH)(H){1|H<1>}	H(CN[5a]C[5]H)	109.4575	0.280	4	109.4575	0.079	4	109.4575	0.079	4	108.7481	0.417	53	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:2:	4:	C[6a]-3:C[5]-4:Cl-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2O)(Cl)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]ClH)(OH)	H(CC[6a]C[5]Cl)	C(C[6a]C[6a]2)(C[5]C[5]2O)(Cl)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]ClH)(OH){4|H<1>}	H(CC[6a]C[5]Cl)	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:3:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]HH)(COO){4|H<1>}	H(CC[6a]C[5]H)	108.5935	0.023	2	108.5935	0.001	2	108.5465	0.004	4	108.4640	0.019	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:3:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6a]HH)(COO){4|H<1>}	H(CC[6a]C[5]H)	108.4995	0.049	2	108.4995	0.002	2	108.5465	0.004	4	108.4640	0.019	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:3:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5,5]C[5]C)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CN[5a]HH)(COO)	H(CN[5a]C[5]H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5,5]C[5]C)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CN[5a]HH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(CN[5a]C[5]H)	108.2990	0.013	2	108.2990	0.000	2	108.2990	0.000	2	108.4640	0.019	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6a]HH)(CCHH)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6a]HH)(CCHH){4|H<1>}	H(CC[6a]C[5]H)	108.6635	0.006	2	108.6635	0.000	2	108.3457	0.096	11	108.3902	0.111	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)2	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HH)2{4|H<1>}	H(CC[6a]C[5]H)	108.4937	0.294	3	108.4937	0.087	3	108.3457	0.096	11	108.3902	0.111	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HH)(CHHO)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HH)(CHHO){1|C<3>,1|C<4>}	H(CC[6a]C[5]H)	108.0240	0.167	4	108.0240	0.028	4	108.3457	0.096	11	108.3902	0.111	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:4:	4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HO)2(CC[6a]HH)(CH3)	H(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HO)2(CC[6a]HH)(CH3){4|H<1>}	H(CC[6a]C[5]H)	108.4495	0.022	2	108.4495	0.000	2	108.3457	0.096	11	108.3902	0.111	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	4:4:4:4:	4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:C-4:C-4:	C-4:	C(N[5a]C[5a]N[5a])(C[5]C[5]S[5]C)(H)2	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CN[5a]HH)(CH3)	H(CN[5a]C[5]H)	C(N[5a]C[5a]N[5a])(C[5]C[5]S[5]C)(H)2	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CN[5a]HH)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[5a]C[5]H)	108.8800	0.000	1	108.8800	0.000	1	108.8800	0.000	1	108.3902	0.111	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:1:1:	5:2:3:4:	4:	C[5a]-3:C[5]-4:H-1:H-1:	P[3]-5:O[5]-2:C[5]-3:C-4:	C-4:	C(C[5a]N[5a,6]C[5a])(C[5]C[5]O[5]P[3])(H)2	C[5](P[3]H[3]O[3]OO)(O[5]B[5,5])(C[5]O[5]O)(CC[5a]HH)	H(CC[5a]C[5]H)	C(C[5a]N[5a,6]C[5a])(C[5]C[5]O[5]P[3])(H)2	C[5](P[3]H[3]O[3]OO)(O[5]B[5,5])(C[5]O[5]O)(CC[5a]HH){2|O<2>}	H(CC[5a]C[5]H)	109.6000	0.007	2	109.6000	0.000	2	109.6000	0.000	2	109.6000	0.000	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	3:3:4:4:	4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5]C)(OH)(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[5a]HO)(CH3)	H(CC[5a]C[5]O)	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5]C)(OH)(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[5a]HO)(CH3){2|C<4>}	H(CC[5a]C[5]O)	107.0940	0.000	1	107.0940	0.000	1	107.0940	0.000	1	107.0940	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	3:4:2:1:	4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C-4:	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5]N)(CC[5a]HO)(O[5]C[5])(H)	H(CC[5a]C[5]O)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5]N)(CC[5a]HO)(O[5]C[5])(H){1|Cl<1>,1|O<1>}	H(CC[5a]C[5]O)	108.8080	1.266	2	108.8080	1.602	2	108.8080	1.602	2	108.7760	0.548	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	3:4:2:1:	4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-3:C-4:S[5]-2:H-1:	C-4:	C(C[5a]C[5a]S[5a])(C[5]C[5]S[5]H)(OH)(H)	C[5](C[5]N[5]O)(CC[5a]HO)(S[5]C[5])(H)	H(CC[5a]C[5]O)	C(C[5a]C[5a]S[5a])(C[5]C[5]S[5]H)(OH)(H)	C[5](C[5]N[5]O)(CC[5a]HO)(S[5]C[5])(H){1|C<4>,1|O<1>}	H(CC[5a]C[5]O)	108.7440	0.198	2	108.7440	0.039	2	108.7440	0.039	2	108.7760	0.548	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	3:4:4:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HO)(CH3)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HO)(CH3){2|C<3>,3|H<1>}	H(CC[6a]C[5]O)	107.9960	0.767	2	107.9960	0.588	2	107.9960	0.588	2	107.9960	0.588	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:2:4:1:	4:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5,6]N[5])(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5,5,6]N[5])(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	H(CC[5]2O)	109.9660	0.000	1	109.9660	0.000	1	109.9660	0.000	1	109.9660	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HO)(H){3|H<1>}	H(CC[6a]C[5]O)	108.9550	0.096	2	108.9550	0.009	2	108.4706	0.570	13	108.5035	0.541	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HO)(H){1|S<4>,2|H<1>}	H(CC[6a]C[5]O)	109.4080	0.000	1	109.4080	0.000	1	108.4706	0.570	13	108.5035	0.541	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HO)(H){1|O<1>,2|C<4>}	H(CC[6a]C[5]O)	108.6220	0.000	1	108.6220	0.000	1	108.4706	0.570	13	108.5035	0.541	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HO)(H){1|S<4>,2|H<1>}	H(CC[6a]C[5]O)	108.7010	0.000	1	108.7010	0.000	1	108.4706	0.570	13	108.5035	0.541	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HO)(H){2|H<1>}	H(CC[6a]C[5]O)	106.9040	0.048	2	106.9040	0.002	2	108.4706	0.570	13	108.5035	0.541	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(H){4|H<1>}	H(CC[6a]C[5]O)	108.3910	0.192	2	108.3910	0.037	2	108.4706	0.570	13	108.5035	0.541	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(H){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.4370	0.000	1	108.4370	0.000	1	108.4706	0.570	13	108.5035	0.541	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(H){1|C<3>,1|H<1>}	H(CC[6a]C[5]O)	108.5800	0.000	1	108.5800	0.000	1	108.4706	0.570	13	108.5035	0.541	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]SiH)(C[5]N[5]O)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]SiH)(C[5]N[5]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5]O)	108.9350	0.000	2	108.9350	0.000	2	108.4706	0.570	13	108.5035	0.541	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){4|H<1>}	H(CC[6a]C[5]O)	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	108.5035	0.541	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:2:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2O)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(OC)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2O)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(OC){3|H<1>}	H(CC[6a]C[5]O)	108.0005	0.019	2	108.0005	0.000	2	108.0005	0.000	2	108.0005	0.000	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:C-2:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(COO)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(COO){4|H<1>}	H(CC[6a]C[5]C)	107.7010	0.000	1	107.7010	0.000	1	107.2705	0.371	2	107.2705	0.371	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:C-2:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CN)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]CH)(COO)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CN)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]CH)(COO){1|H<1>,2|C<4>}	H(CC[6a]C[5]C)	106.8400	0.000	1	106.8400	0.000	1	107.2705	0.371	2	107.2705	0.371	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:4:	4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5a]C[5a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CC[5a]HO)(CH3)	H(CC[5a]C[5]O)	C(C[5a]C[5a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CC[5a]HO)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[5a]C[5]O)	107.8603	0.475	3	107.8603	0.226	3	107.4377	0.865	4	107.8294	0.998	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:4:	4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]HO)(CH3)	H(CC[5a]C[5]O)	C(C[5a]C[5a]O[5a])(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]HO)(CH3){1|C<3>,2|H<1>}	H(CC[5a]C[5]O)	106.1700	0.000	1	106.1700	0.000	1	107.4377	0.865	4	107.8294	0.998	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:4:	4:	C[6a]-3:C[5]-4:C-2:H-1:	C[5]-4:C[5]-3:C-4:P-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2P)(CC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(PO3)	H(CC[6a]C[5]C)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2P)(CC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(PO3){4|H<1>}	H(CC[6a]C[5]C)	107.4020	0.000	1	107.4020	0.000	1	107.4020	0.000	1	107.8294	0.998	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(CH3)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(CH3){3|H<1>}	H(CC[6a]C[5]O)	108.0720	0.000	1	108.0720	0.000	1	108.0786	1.156	8	107.8294	0.998	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)2	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)2{3|H<1>}	H(CC[6a]C[5]O)	107.9483	0.587	4	107.9483	0.345	4	108.0786	1.156	8	107.8294	0.998	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(CH3)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(CH3){4|H<1>}	H(CC[6a]C[5]O)	109.9160	0.000	1	109.9160	0.000	1	108.0786	1.156	8	107.8294	0.998	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(CH3)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(CH3){1|C<3>,2|H<1>}	H(CC[6a]C[5]O)	106.2500	0.000	1	106.2500	0.000	1	108.0786	1.156	8	107.8294	0.998	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:3:4:4:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(CH3)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(CH3){1|C<3>,1|H<1>}	H(CC[6a]C[5]O)	108.5980	0.000	1	108.5980	0.000	1	108.0786	1.156	8	107.8294	0.998	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:4:2:1:	4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-4:C-4:N[5]-2:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]N[5]HH)(CC[5a]HO)(N[5]C[5])(H)	H(CC[5a]C[5]O)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]N[5]HH)(CC[5a]HO)(N[5]C[5])(H){2|C<3>}	H(CC[5a]C[5]O)	109.6430	0.000	1	109.6430	0.000	1	109.6430	0.000	1	109.6430	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:4:3:1:	4:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5]-4:C-4:C[5]-3:H-1:	C-4:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(OH)(H)	C[5](C[5]O[5]CH)(CC[5,6]HO)(C[5]C[5]C)(H)	H(CC[5,6]C[5]O)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(OH)(H)	C[5](C[5]O[5]CH)(CC[5,6]HO)(C[5]C[5]C)(H){1|O<1>}	H(CC[5,6]C[5]O)	108.4040	0.000	1	108.4040	0.000	1	108.4040	0.000	1	108.4040	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CC[6a]HO)(H){2|C<3>}	H(CC[6a]C[5]O)	108.4670	0.000	1	108.4670	0.000	1	109.1293	0.935	7	109.2595	0.937	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6a]HO)(H){4|H<1>}	H(CC[6a]C[5]O)	108.0690	0.000	1	108.0690	0.000	1	109.1293	0.935	7	109.2595	0.937	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]HO)(H){1|C<4>,3|H<1>}	H(CC[6a]C[5]O)	109.2780	0.000	1	109.2780	0.000	1	109.1293	0.935	7	109.2595	0.937	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(H){1|O<1>}	H(CC[6a]C[5]O)	108.8350	0.000	1	108.8350	0.000	1	109.1293	0.935	7	109.2595	0.937	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HO)(H){1|H<1>,3|C<3>}	H(CC[6a]C[5]O)	108.6720	0.000	1	108.6720	0.000	1	109.1293	0.935	7	109.2595	0.937	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H){2|H<1>,3|C<3>}	H(CC[6a]C[5]O)	109.5750	0.000	1	109.5750	0.000	1	109.1293	0.935	7	109.2595	0.937	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(ON[5a])(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2H)(ON[5a])(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HO)(H){1|C<4>,1|O<1>}	H(CC[6a]C[5]O)	111.0090	0.000	1	111.0090	0.000	1	109.1293	0.935	7	109.2595	0.937	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:O-2:H-1:	S[5]-4:S[5]-4:C-4:F-1:	C-4:	C(C[6a]C[6a]2)(C[5]S[5]2F)(OC)(H)	C[5](S[5]C[5,6a]OO)2(CC[6a]HO)(F)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]S[5]2F)(OC)(H)	C[5](S[5]C[5,6a]OO)2(CC[6a]HO)(F){2|C<3>}	H(CC[6a]C[5]O)	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	109.2595	0.937	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:4:4:3:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]C)(OH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]HO)(COO)	H(CC[6a]C[5]O)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5]C)(OH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]HO)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[6a]C[5]O)	107.4870	0.000	1	107.4870	0.000	1	107.4870	0.000	1	108.2125	1.053	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:2:1:	4:4:4:3:	4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(COO)	H(CC[6a]C[5]O)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HO)(COO){1|O<1>}	H(CC[6a]C[5]O)	108.9380	0.000	1	108.9380	0.000	1	108.9380	0.000	1	108.2125	1.053	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	3:3:4:1:	4:	C[5a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(H)	H(CC[5a]C[5]C)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5a]C[5]C)	107.7670	0.000	1	107.7670	0.000	1	107.7670	0.000	1	106.8830	0.880	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	3:3:4:1:	4:	C[6a]-3:C[5]-4:C-3:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]N[5]2H)(COO)(H)	C[5](N[5]C[5]S)2(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]N[5]2H)(COO)(H)	C[5](N[5]C[5]S)2(CC[6a]CH)(H){4|H<1>}	H(CC[6a]C[5]C)	105.8990	0.000	1	105.8990	0.000	1	105.8990	0.000	1	106.8830	0.880	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	3:3:4:1:	4:	C[6a]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2H)(H)	H(CC[6a]2C[5])	C(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2H)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]2C[5])	106.9830	0.000	1	106.9830	0.000	1	106.9830	0.000	1	106.8830	0.880	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	3:3:4:4:	4:	C[5a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(CCHH)	H(CC[5a]C[5]C)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(CCHH){1|H<1>,3|C<3>}	H(CC[5a]C[5]C)	107.7710	0.133	2	107.7710	0.018	2	107.7710	0.018	2	107.7710	0.018	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	3:4:2:4:	4:	C[5a]-3:C[5]-4:N-3:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C-4:	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(NC[6a]H)(H)	C[5](C[5]C[5]H)(CC[5a]HN)(O[5]C[5])(CH3)	H(CC[5a]C[5]N)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(NC[6a]H)(H)	C[5](C[5]C[5]H)(CC[5a]HN)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	H(CC[5a]C[5]N)	106.4520	0.000	1	106.4520	0.000	1	106.4520	0.000	1	106.4520	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	3:4:4:1:	4:	C[5a]-3:C[5]-4:N-3:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(NC[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5a]HN)(H)	H(CC[5a]C[5]N)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(NC[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5a]HN)(H){1|C<3>,1|N<2>,4|H<1>}	H(CC[5a]C[5]N)	106.5840	0.000	1	106.5840	0.000	1	106.5840	0.000	1	106.5840	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:3:2:4:	4:	C[5a]-3:C[5]-4:C[6a]-3:H-1:	C-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(O[5]C[5])(CH3)	H(CC[5a]C[6a]C[5])	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	H(CC[5a]C[6a]C[5])	106.2630	0.000	1	106.2630	0.000	1	106.2630	0.000	1	106.2630	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[5a]-3:C[5]-4:N-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(NCO)(H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[5a]HN)(H)	H(CC[5a]C[5]N)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(NCO)(H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[5a]HN)(H){2|H<1>}	H(CC[5a]C[5]N)	105.6430	0.000	1	105.6430	0.000	1	105.6430	0.000	1	107.1641	3.422	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]CH)(H){1|C<4>,1|O<1>,2|C<3>}	H(CC[6a]C[5]C)	107.9395	1.148	2	107.9395	1.317	2	107.9395	1.317	2	107.1641	3.422	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HN)(H)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HN)(H){3|H<1>}	H(CC[6a]C[5]N)	108.5750	0.000	1	108.5750	0.000	1	107.1568	5.233	4	107.1641	3.422	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NC[6a]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HN)(H)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NC[6a]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HN)(H){2|C<3>,2|H<1>}	H(CC[6a]C[5]N)	108.1520	0.000	1	108.1520	0.000	1	107.1568	5.233	4	107.1641	3.422	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NHS)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HN)(H)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NHS)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HN)(H){1|H<1>,2|C<4>}	H(CC[6a]C[5]N)	103.7380	0.000	1	103.7380	0.000	1	107.1568	5.233	4	107.1641	3.422	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NHS)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HN)(H)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NHS)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HN)(H){4|H<1>}	H(CC[6a]C[5]N)	108.1620	0.000	1	108.1620	0.000	1	107.1568	5.233	4	107.1641	3.422	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:3:4:2:	4:	C[6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2O)(CCH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(OH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2O)(CCH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(OH){2|C<3>}	H(CC[6a]C[5]C)	106.0115	0.442	2	106.0115	0.195	2	106.0115	0.195	2	105.9226	17.021	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:3:4:2:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(CN)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(CN){4|H<1>}	H(CC[6a]C[5]N)	105.8035	4.592	13	105.8035	21.086	13	105.8035	21.086	13	105.9226	17.021	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:3:4:2:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:S-2:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2S)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HN)(SC)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2S)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HN)(SC){2|H<1>}	H(CC[6a]C[5]N)	107.2930	0.000	1	107.2930	0.000	1	107.2930	0.000	1	105.9226	17.021	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(COO)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCC)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(COO){2|C<3>}	H(CC[6a]C[5]C)	105.8160	0.000	1	105.8160	0.000	1	105.8160	0.000	1	107.3582	2.475	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(CCO)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(CCO){4|H<1>}	H(CC[6a]C[5]N)	109.1370	0.000	1	109.1370	0.000	1	107.7438	2.309	4	107.3582	2.475	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(COO)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(COO){4|H<1>}	H(CC[6a]C[5]N)	107.4440	2.044	2	107.4440	4.176	2	107.7438	2.309	4	107.3582	2.475	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HN)(CCO)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HN)(CCO){2|H<1>}	H(CC[6a]C[5]N)	106.9500	0.000	1	106.9500	0.000	1	107.7438	2.309	4	107.3582	2.475	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:3:4:4:	4:	C[6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CCHH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.1400	0.000	1	106.1400	0.000	1	106.2875	0.044	2	106.9130	1.196	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:3:4:4:	4:	C[6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CC[6a]HH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.4350	0.000	1	106.4350	0.000	1	106.2875	0.044	2	106.9130	1.196	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:3:4:4:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:P-4:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2P)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(PO3)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2P)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(PO3){4|H<1>}	H(CC[6a]C[5]N)	108.1640	0.000	1	108.1640	0.000	1	108.1640	0.000	1	106.9130	1.196	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[5a]-3:C[5]-4:C[6a]-3:H-1:	C-4:C[5]-4:O[5]-2:H-1:	C-4:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]HH)(O[5]C[5])(H)	H(CC[5a]C[6a]C[5])	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,2|H<1>}	H(CC[5a]C[6a]C[5])	106.3600	0.000	1	106.3600	0.000	1	106.3600	0.000	1	106.3603	0.007	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[5a]-3:C[5]-4:N-3:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(NCO)(H)	C[5](C[5]O[5]HH)(CC[5a]HN)(O[5]C[5])(H)	H(CC[5a]C[5]N)	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(NCO)(H)	C[5](C[5]O[5]HH)(CC[5a]HN)(O[5]C[5])(H){2|C<4>}	H(CC[5a]C[5]N)	106.4420	0.000	1	106.4420	0.000	1	106.3605	0.013	2	106.3603	0.007	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:4:2:1:	4:	C[5a]-3:C[5]-4:N-3:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(NCO)(H)	C[5](C[5]C[5]O[5]H)(CC[5a]HN)(O[5]C[5])(H)	H(CC[5a]C[5]N)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(NCO)(H)	C[5](C[5]C[5]O[5]H)(CC[5a]HN)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(CC[5a]C[5]N)	106.2790	0.000	1	106.2790	0.000	1	106.3605	0.013	2	106.3603	0.007	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]CH)(H){1|O<1>,2|C<3>}	H(CC[6a]C[5]C)	107.3875	2.097	2	107.3875	4.396	2	107.7502	1.650	4	107.4016	0.910	10	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(H)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]CH)(H){1|C<3>,1|O<1>}	H(CC[6a]C[5]C)	108.1130	0.171	2	108.1130	0.029	2	107.7502	1.650	4	107.4016	0.910	10	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(CC[6a]HN)(H)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(CC[6a]HN)(H){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]C[5]N)	107.6520	0.182	2	107.6520	0.033	2	107.1692	0.486	6	107.4016	0.910	10	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HN)(H)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HN)(H){1|C<3>,1|H<1>,1|S<4>}	H(CC[6a]C[5]N)	106.8490	0.000	1	106.8490	0.000	1	107.1692	0.486	6	107.4016	0.910	10	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[5](C[5]C[5]HH)2(CC[6a]HN)(H)	H(CC[6a]C[5]N)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[5](C[5]C[5]HH)2(CC[6a]HN)(H){4|H<1>}	H(CC[6a]C[5]N)	106.9540	0.920	3	106.9540	0.846	3	107.1692	0.486	6	107.4016	0.910	10	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:3:1:	4:4:4:2:	4:	C[6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2O)(CCH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6a]CH)(OH)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2O)(CCH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6a]CH)(OH){2|C<3>}	H(CC[6a]C[5]C)	107.3550	0.000	1	107.3550	0.000	1	107.3550	0.000	1	107.3550	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:4:1:	2:2:4:1:	4:	C[5a]-3:C[5]-4:C-4:H-1:	S[5]-2:S[5]-2:C-4:H-1:	C-4:	C(C[5a]N[5a]O[5a])(C[5]S[5]2H)(CC[6a]CH)(H)	C[5](S[5]C[5,6a])2(CC[5a]CH)(H)	H(CC[5a]C[5]C)	C(C[5a]N[5a]O[5a])(C[5]S[5]2H)(CC[6a]CH)(H)	C[5](S[5]C[5,6a])2(CC[5a]CH)(H){2|C<3>}	H(CC[5a]C[5]C)	106.6510	0.000	1	106.6510	0.000	1	106.6510	0.000	1	106.6510	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:4:1:	3:3:4:1:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:F-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2F)(CHHN)(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]CH)(F)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2F)(CHHN)(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]CH)(F){2|C<3>}	H(CC[6a]C[5]C)	107.1680	0.000	1	107.1680	0.000	1	107.1680	0.000	1	106.7282	0.080	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:4:1:	3:3:4:1:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){1|C<3>,1|O<1>}	H(CC[6a]C[5]C)	106.4700	0.000	1	106.5015	0.002	2	106.6183	0.027	4	106.7282	0.080	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:4:1:	3:3:4:1:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){2|C<4>}	H(CC[6a]C[5]C)	106.5330	0.000	1	106.5015	0.002	2	106.6183	0.027	4	106.7282	0.080	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:4:1:	3:3:4:1:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){1|C<3>,1|O<1>}	H(CC[6a]C[5]C)	106.7350	0.153	2	106.7350	0.023	2	106.6183	0.027	4	106.7282	0.080	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:4:1:	3:4:2:1:	4:	C[5a]-3:C[5]-4:C-4:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C-4:	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CCHH)(H)	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(H)	H(CC[5a]C[5]C)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CCHH)(H)	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>}	H(CC[5a]C[5]C)	107.7310	0.000	1	107.7310	0.000	1	107.7310	0.000	1	107.7310	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:4:1:	3:4:2:4:	4:	C[5a]-3:C[5]-4:C-4:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C-4:	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(CCHH)(H)	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(CH3)	H(CC[5a]C[5]C)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(CCHH)(H)	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	H(CC[5a]C[5]C)	106.6790	0.000	1	106.6790	0.000	1	106.6790	0.000	1	106.6790	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:4:1:	3:4:3:1:	4:	C[6a]-3:C[5]-4:C[6]-4:H-1:	C[5]-3:C-4:C[5]-3:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]2H)(H)	C[5](C[5]C[6a]N[5])(CC[6a]C[6]H)(C[5]O[5]O)(H)	H(CC[6a]C[5]C[6])	C(C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]2H)(H)	C[5](C[5]C[6a]N[5])(CC[6a]C[6]H)(C[5]O[5]O)(H){2|C<3>}	H(CC[6a]C[5]C[6])	106.9420	0.000	1	106.9420	0.000	1	106.9420	0.000	1	106.9420	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(H){4|H<1>}	H(CC[6a]C[5]C)	107.2500	0.556	2	107.2500	0.309	2	107.5715	0.438	4	107.5715	0.438	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:4:1:	4:3:4:1:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH)(H){1|S<4>,2|H<1>}	H(CC[6a]C[5]C)	107.8930	0.769	2	107.8930	0.592	2	107.5715	0.438	4	107.5715	0.438	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:4:1:	4:3:4:2:	4:	C[5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:N-2:	C-4:	C(C[5a]C[5a]S[5a])(C[5]C[5]2N)(CHHN)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)(NN)	H(CC[5a]C[5]C)	C(C[5a]C[5a]S[5a])(C[5]C[5]2N)(CHHN)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)(NN){2|C<3>}	H(CC[5a]C[5]C)	107.7930	0.000	1	107.7930	0.000	1	107.7930	0.000	1	107.7930	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:4:1:	4:3:4:3:	4:	C[5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5a]C[5a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[5a]CH)(COO)	H(CC[5a]C[5]C)	C(C[5a]C[5a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[5a]CH)(COO){1|H<1>,2|C<4>}	H(CC[5a]C[5]C)	109.4780	0.000	1	109.4780	0.000	1	107.9475	4.685	2	106.9823	0.556	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:4:1:	4:3:4:3:	4:	C[5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5a]C[5a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]CH)(COO)	H(CC[5a]C[5]C)	C(C[5a]C[5a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]CH)(COO){1|C<4>,2|H<1>}	H(CC[5a]C[5]C)	106.4170	0.000	1	106.4170	0.000	1	107.9475	4.685	2	106.9823	0.556	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:4:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCHN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(COO)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCHN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(COO){4|H<1>}	H(CC[6a]C[5]C)	107.2610	0.000	1	107.2610	0.000	1	106.8444	0.117	14	106.9823	0.556	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:4:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(COO)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(COO){4|H<1>}	H(CC[6a]C[5]C)	106.7673	0.320	11	106.7673	0.102	11	106.8444	0.117	14	106.9823	0.556	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:4:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)(CCO)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)(CCO){2|H<1>}	H(CC[6a]C[5]C)	106.7720	0.000	1	106.7720	0.000	1	106.8444	0.117	14	106.9823	0.556	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:4:1:	4:3:4:3:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)(COO)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)(COO){2|H<1>}	H(CC[6a]C[5]C)	107.3490	0.000	1	107.3490	0.000	1	106.8444	0.117	14	106.9823	0.556	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:4:1:	4:4:4:1:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]CH)(H){1|S<4>,2|H<1>,4|C<3>}	H(CC[6a]C[5]C)	107.6910	0.000	1	107.6910	0.000	1	107.6910	0.000	1	107.6910	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	3:4:4:1:	4:4:4:3:	4:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]CH)(COO)	H(CC[6a]C[5]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]CH)(COO){4|H<1>}	H(CC[6a]C[5]C)	106.1540	0.358	3	106.1540	0.128	3	106.1540	0.128	3	106.1540	0.128	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:2:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-2:O[5]-2:O-2:C-4:	C-4:	C(C[5]N[5]O[5]O)(H)3	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5]O)(H)3	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.5017	0.031	3	109.5017	0.001	3	109.5017	0.001	3	109.5017	0.001	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:1:	4:	C[5]-4:Cl-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:Cl-1:	C-4:	C(C[5]O[5]2Cl)(Cl)(H)2	C[5](O[5]C[5])(O[5]O[5])(CClHH)(Cl)	H(CC[5]ClH)	C(C[5]O[5]2Cl)(Cl)(H)2	C[5](O[5]C[5])(O[5]O[5])(CClHH)(Cl){1|Cl<1>,1|C<4>}	H(CC[5]ClH)	109.2292	0.075	4	109.2292	0.006	4	109.2292	0.006	4	109.2592	0.021	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]2H)(H)3	C[5](O[5]C[5,6])2(CH3)(H)	H(CC[5]HH)	C(C[5]O[5]2H)(H)3	C[5](O[5]C[5,6])2(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4665	0.006	2	109.4665	0.000	2	109.4665	0.000	2	109.2592	0.021	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:1:	4:	C[5]-4:H-1:H-1:O-1:	O[5]-2:S[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]S[5]H)(H)2(O)	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]O[5]S[5]H)(H)2(O)	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	109.1120	0.013	2	109.1120	0.000	2	109.1120	0.000	2	109.2592	0.021	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:O-2:	C-4:	C(C[5]O[5]2O)(H)3	C[5](O[5]C[5,5])(O[5]C[5])(CH3)(OC)	H(CC[5]HH)	C(C[5]O[5]2O)(H)3	C[5](O[5]C[5,5])(O[5]C[5])(CH3)(OC){1|C<3>,2|C<4>}	H(CC[5]HH)	109.9048	1.392	6	109.9048	1.939	6	109.7610	1.259	9	109.7610	1.259	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:O-2:	C-4:	C(C[5]O[5]2O)(H)3	C[5](O[5]C[5,5])2(CH3)(OC)	H(CC[5]HH)	C(C[5]O[5]2O)(H)3	C[5](O[5]C[5,5])2(CH3)(OC){1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.4733	0.055	3	109.4733	0.003	3	109.7610	1.259	9	109.7610	1.259	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-3:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)(CHH)	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)(CHH){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.0833	1.481	3	108.1952	19.401	6	108.6211	12.534	9	108.6211	12.534	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-3:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)(CHH)	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)(CHH){2|C<4>,2|H<1>}	H(CC[5]HH)	107.3070	6.629	3	108.1952	19.401	6	108.6211	12.534	9	108.6211	12.534	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-3:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)(COO)	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)(COO){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4730	0.017	3	109.4730	0.000	3	108.6211	12.534	9	108.6211	12.534	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:F-1:F-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(F)2(H)	C[5](O[5]C[5])2(CCHO)(CFFH)	H(CC[5]FF)	C(C[5]O[5]2C)(F)2(H)	C[5](O[5]C[5])2(CCHO)(CFFH){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]FF)	110.3860	0.000	1	110.3860	0.000	1	110.3860	0.000	1	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5,6a])2(CH3)2	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5,6a])2(CH3)2{2|C<3>}	H(CC[5]HH)	109.4563	0.015	3	109.4563	0.000	3	109.4745	0.001	16	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-2:N[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5])2(CH3)2	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5])2(CH3)2{2|C<3>}	H(CC[5]HH)	109.4787	0.038	13	109.4787	0.001	13	109.4745	0.001	16	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3)2{2|C<3>}	H(CC[5]HH)	109.4570	2.172	11	109.4570	4.717	11	109.4673	3.145	16	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5])(O[5]P[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5])(O[5]P[5])(CH3)2{1|W<6>,2|C<4>}	H(CC[5]HH)	109.4898	0.039	5	109.4898	0.002	5	109.4673	3.145	16	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[3x5,6])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[3x5,6])2(CH3)2{2|C<3>,2|C<4>}	H(CC[5]HH)	109.4717	0.128	3	109.4717	0.017	3	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[3x5])(O[5]C[5,5])(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[3x5])(O[5]C[5,5])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.4793	0.034	13	109.4793	0.001	13	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[4,5,6])(O[5]C[4,5])(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[4,5,6])(O[5]C[4,5])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4834	0.024	5	109.4834	0.001	5	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[4,5])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[4,5])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HH)	109.4571	0.025	25	109.4571	0.001	25	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[4,5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[4,5])2(CH3)2{1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4608	0.032	5	109.4809	0.003	10	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[4,5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[4,5])2(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	109.5010	0.069	5	109.4809	0.003	10	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])(O[5]C[5,5])(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])(O[5]C[5,5])(CH3)2{1|H<1>,3|C<4>}	H(CC[5]HH)	109.4782	0.027	9	109.4782	0.001	9	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.4620	0.031	9	109.4673	0.004	25	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2{1|H<1>,3|C<4>}	H(CC[5]HH)	109.4703	0.082	16	109.4673	0.004	25	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	109.4655	0.046	8	109.4655	0.002	8	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.4738	0.032	5	109.3509	0.898	74	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])2(CH3)2{1|H<1>,3|C<4>}	H(CC[5]HH)	108.5692	1.193	6	109.3509	0.898	74	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	109.4157	0.937	63	109.3509	0.898	74	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.7987	1.636	19	109.4341	1.420	62	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.4654	0.067	9	109.4341	1.420	62	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	108.6493	0.832	12	109.4341	1.420	62	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	H(CC[5]HH)	109.3886	1.137	12	109.4341	1.420	62	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{2|C<3>,2|H<1>}	H(CC[5]HH)	109.4485	0.026	4	109.4341	1.420	62	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	109.8835	1.037	6	109.4341	1.420	62	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4752	0.030	36	109.4629	0.465	1517	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4776	0.036	75	109.4629	0.465	1517	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.4332	1.281	86	109.4629	0.465	1517	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4648	0.044	15	109.4629	0.465	1517	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4774	0.024	5	109.4629	0.465	1517	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4807	0.597	739	109.4629	0.465	1517	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,3|C<3>}	H(CC[5]HH)	109.0057	1.777	6	109.4629	0.465	1517	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4713	0.029	45	109.4629	0.465	1517	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	H(CC[5]HH)	109.5990	1.674	34	109.4629	0.465	1517	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{2|C<3>,2|H<1>}	H(CC[5]HH)	109.7221	0.956	9	109.4629	0.465	1517	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	109.4327	0.611	461	109.4629	0.465	1517	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,5])2(CH3)2{4|C<4>}	H(CC[5]HH)	108.9707	1.372	6	109.4629	0.465	1517	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6,6])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.4537	0.031	4	109.5254	0.984	83	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6,6])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	109.5290	1.017	79	109.5254	0.984	83	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4984	0.049	5	109.4231	1.571	39	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4800	0.041	6	109.4231	1.571	39	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	H(CC[5]HH)	109.4957	0.033	6	109.4231	1.571	39	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	109.3707	1.684	22	109.4231	1.571	39	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4850	0.066	5	109.3968	1.192	1229	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4479	0.739	248	109.3968	1.192	1229	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.2810	1.001	52	109.3968	1.192	1229	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4797	0.034	4	109.3968	1.192	1229	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4739	1.218	139	109.3968	1.192	1229	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4856	0.049	17	109.3968	1.192	1229	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,1|O<3>,2|C<4>}	H(CC[5]HH)	109.5058	0.032	4	109.3968	1.192	1229	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<3>}	H(CC[5]HH)	109.4845	0.034	4	109.3968	1.192	1229	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	H(CC[5]HH)	109.1306	1.045	61	109.3968	1.192	1229	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	109.3908	1.201	695	109.3968	1.192	1229	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6a])2(CCHH)(CH3)	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6a])2(CCHH)(CH3){2|C<3>}	H(CC[5]HH)	109.4403	0.028	3	109.4403	0.001	3	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6a])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5,6a])2(CH3)2{2|C<3>}	H(CC[5]HH)	109.4907	0.192	62	109.4907	0.037	62	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CCHH)(CH3)	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CCHH)(CH3){4|H<1>}	H(CC[5]HH)	109.6923	1.762	15	109.6923	3.104	15	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CC[4]CC)(CH3)	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CC[4]CC)(CH3){4|H<1>}	H(CC[5]HH)	109.5310	0.000	1	109.5310	0.000	1	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CC[6]HH)(CH3)	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CC[6]HH)(CH3){4|H<1>}	H(CC[5]HH)	109.4823	0.025	6	109.4823	0.001	6	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2{1|C<2>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.6906	1.495	16	109.4295	0.729	1454	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4359	1.038	76	109.4295	0.729	1454	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.9398	2.117	10	109.4295	0.729	1454	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2{1|C<3>,3|H<1>}	H(CC[5]HH)	109.4648	0.031	35	109.4295	0.729	1454	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2{1|C<4>,1|N<3>,2|H<1>}	H(CC[5]HH)	109.4713	0.067	29	109.4295	0.729	1454	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	H(CC[5]HH)	109.3971	0.970	700	109.4295	0.729	1454	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2{1|H<1>,3|C<4>}	H(CC[5]HH)	109.4508	0.018	5	109.4295	0.729	1454	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2{2|C<2>,2|H<1>}	H(CC[5]HH)	109.4883	1.055	3	109.4295	0.729	1454	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2{2|C<3>,2|H<1>}	H(CC[5]HH)	109.4754	0.052	15	109.4295	0.729	1454	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	109.4464	0.653	565	109.4295	0.729	1454	109.4348	0.769	4643	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	S[5]-2:S[5]-2:C-4:C-4:	C-4:	C(C[5]S[5]2C)(H)3	C[5](S[5]C[5,6a])2(CH3)2	H(CC[5]HH)	C(C[5]S[5]2C)(H)3	C[5](S[5]C[5,6a])2(CH3)2{2|C<3>}	H(CC[5]HH)	109.4642	0.064	28	109.4642	0.004	28	109.4626	0.003	35	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	S[5]-2:S[5]-2:C-4:C-4:	C-4:	C(C[5]S[5]2C)(H)3	C[5](S[5]C[5,6a])2(CHHO)(CH3)	H(CC[5]HH)	C(C[5]S[5]2C)(H)3	C[5](S[5]C[5,6a])2(CHHO)(CH3){2|C<3>}	H(CC[5]HH)	109.4561	0.018	7	109.4561	0.000	7	109.4626	0.003	35	109.4355	0.769	4711	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)(H){2|O<2>}	H(CC[5]HH)	110.3830	1.694	7	110.3830	2.870	7	110.1821	2.311	9	110.0094	1.778	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)(H){1|O<2>,2|C<4>}	H(CC[5]HH)	109.4790	0.006	2	109.4790	0.000	2	110.1821	2.311	9	110.0094	1.778	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	S[5]-2:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(H)3	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]S[5]H)(H)3	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(H){1|N<3>,2|C<4>}	H(CC[5]HH)	109.4913	0.015	3	109.4913	0.000	3	109.4913	0.000	3	110.0094	1.778	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	S[5]-2:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]S[5]O)(H)3	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]S[5]O)(H)3	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(OH){3|C<4>}	H(CC[5]HH)	109.4810	0.017	4	109.4810	0.000	4	109.4810	0.000	4	109.4810	0.000	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	S[5]-2:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]S[5]C)(H)3	C[5](S[5]C[5,5])(C[5]N[5]C)(CH3)(CCC)	H(CC[5]HH)	C(C[5]C[5]S[5]C)(H)3	C[5](S[5]C[5,5])(C[5]N[5]C)(CH3)(CCC){1|C<3>,2|C<4>}	H(CC[5]HH)	109.4787	0.034	3	109.4787	0.001	3	109.4787	0.001	3	109.4787	0.001	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)2{2|O<2>}	H(CC[5]HH)	109.4670	0.012	3	109.4670	0.000	3	109.4720	0.006	49	109.4720	0.006	49	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]C[5,5,6])(C[5]C[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]C[5,5,6])(C[5]C[5]H)(CH3)2{1|H<1>,2|C<4>}	H(CC[5]HH)	109.4683	0.024	3	109.4683	0.001	3	109.4720	0.006	49	109.4720	0.006	49	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]C[5,5])(C[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]C[5,5])(C[5]C[5]O)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4822	0.166	8	109.4822	0.027	8	109.4720	0.006	49	109.4720	0.006	49	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	H(CC[5]HH)	109.4895	0.057	12	109.4779	0.003	21	109.4720	0.006	49	109.4720	0.006	49	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|C<3>,1|N<3>,1|O<2>}	H(CC[5]HH)	109.4753	0.029	4	109.4779	0.003	21	109.4720	0.006	49	109.4720	0.006	49	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|O<2>,2|C<3>}	H(CC[5]HH)	109.4522	0.044	5	109.4779	0.003	21	109.4720	0.006	49	109.4720	0.006	49	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]C[5,6])(C[5]C[5]I)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]C[5,6])(C[5]C[5]I)(CH3)2{1|C<3>,1|I<1>,1|O<2>}	H(CC[5]HH)	109.4814	0.046	5	109.4814	0.002	5	109.4720	0.006	49	109.4720	0.006	49	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]P[5,5])(C[5]O[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]P[5,5])(C[5]O[5]O)(CH3)2{1|Ni<4>,2|O<2>}	H(CC[5]HH)	109.4466	0.043	9	109.4466	0.002	9	109.4720	0.006	49	109.4720	0.006	49	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:4:4:1:	4:	C[5]-4:Cl-1:H-1:H-1:	O[5]-2:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(Cl)(H)2	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(CClHH)(H)	H(CC[5]ClH)	C(C[5]C[5]O[5]H)(Cl)(H)2	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(CClHH)(H){1|C<3>,1|C<4>}	H(CC[5]ClH)	109.7280	0.125	6	109.7280	0.016	6	109.7280	0.016	6	109.6057	0.024	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](O[5]P[3x5,6])(C[5]O[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](O[5]P[3x5,6])(C[5]O[5]CH)(CH3)(H){1|C<4>,2|O<2>}	H(CC[5]HH)	109.4833	0.042	6	109.4833	0.002	6	109.4833	0.002	6	109.6057	0.024	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]B[5,5a])(C[5]O[5]CC)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]B[5,5a])(C[5]O[5]CC)(CH3)2{1|C<3>,1|N<3>}	H(CC[5]HH)	109.4713	0.049	11	109.4759	0.002	27	109.4719	0.002	44	109.4719	0.002	44	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]B[5,5a])(C[5]O[5]CC)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]B[5,5a])(C[5]O[5]CC)(CH3)2{1|N<3>,1|N<4>}	H(CC[5]HH)	109.4820	0.038	8	109.4759	0.002	27	109.4719	0.002	44	109.4719	0.002	44	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]B[5,5a])(C[5]O[5]CC)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]B[5,5a])(C[5]O[5]CC)(CH3)2{2|N<3>}	H(CC[5]HH)	109.4761	0.052	8	109.4759	0.002	27	109.4719	0.002	44	109.4719	0.002	44	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]P[3x5,6])(C[5]O[5]CC)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]P[3x5,6])(C[5]O[5]CC)(CH3)2{1|C<4>,2|O<2>}	H(CC[5]HH)	109.4705	0.042	8	109.4655	0.003	17	109.4719	0.002	44	109.4719	0.002	44	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	2:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-2:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]P[3x5,6])(C[5]O[5]CC)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]P[3x5,6])(C[5]O[5]CC)(CH3)2{3|O<2>}	H(CC[5]HH)	109.4610	0.069	9	109.4655	0.003	17	109.4719	0.002	44	109.4719	0.002	44	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:2:4:	4:	C[5]-4:Br-1:H-1:H-1:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[6a]O[5]2)(Br)(H)2	C[5](C[6a]C[6a]2)(O[5]C[5])2(CBrHH)	H(CC[5]BrH)	C(C[5]C[6a]O[5]2)(Br)(H)2	C[5](C[6a]C[6a]2)(O[5]C[5])2(CBrHH){1|C<4>,2|C<3>,5|H<1>}	H(CC[5]BrH)	108.9196	0.199	5	108.9196	0.040	5	108.9196	0.040	5	109.6156	0.984	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:2:4:	4:	C[5]-4:F-1:H-1:H-1:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(F)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH)	H(CC[5]FH)	C(C[5]C[6a]N[5]O[5])(F)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH){1|C<4>,2|C<3>,4|H<1>}	H(CC[5]FH)	109.8050	0.020	2	109.8347	0.001	4	109.8347	0.001	4	109.6156	0.984	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:2:4:	4:	C[5]-4:F-1:H-1:H-1:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(F)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH)	H(CC[5]FH)	C(C[5]C[6a]N[5]O[5])(F)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH){1|O<1>,2|H<1>,3|C<3>}	H(CC[5]FH)	109.8645	0.016	2	109.8347	0.001	4	109.8347	0.001	4	109.6156	0.984	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:S-2:C-4:	C-4:	C(C[5]C[5]O[5]S)(H)3	C[5](C[5]O[5]O)(O[5]C[5])(SC[6a])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]S)(H)3	C[5](C[5]O[5]O)(O[5]C[5])(SC[6a])(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	110.3563	0.956	3	110.3563	0.915	3	110.3563	0.915	3	109.6156	0.984	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[6a]O[5]2)(H)3	C[5](C[6a]C[4,6a]C[6a])(O[5]C[5])2(CH3)	H(CC[5]HH)	C(C[5]C[6a]O[5]2)(H)3	C[5](C[6a]C[4,6a]C[6a])(O[5]C[5])2(CH3){1|C<4>,2|C<3>,5|H<1>}	H(CC[5]HH)	109.9813	2.444	3	109.9813	5.972	3	109.6631	1.776	8	109.6156	0.984	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[6a]O[5]2)(H)3	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3)	H(CC[5]HH)	C(C[5]C[6a]O[5]2)(H)3	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3){1|O<2>,2|C<3>,5|H<1>}	H(CC[5]HH)	109.4777	0.011	3	109.4722	0.000	5	109.6631	1.776	8	109.6156	0.984	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[6a]O[5]2)(H)3	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3)	H(CC[5]HH)	C(C[5]C[6a]O[5]2)(H)3	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3){3|C<3>,5|H<1>}	H(CC[5]HH)	109.4640	0.016	2	109.4722	0.000	5	109.6631	1.776	8	109.6156	0.984	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-3:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]Si)(O[5]C[5])(CN[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]Si)(O[5]C[5])(CN[5]O)(CH3){3|H<1>}	H(CC[5]HH)	111.0673	1.699	3	111.0673	2.887	3	111.0673	2.887	3	111.0673	2.887	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4640	0.092	2	109.4640	0.008	2	109.4640	0.008	2	109.1758	7.889	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]N[5,6]C[6])(O[5]B[5,5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]N[5,6]C[6])(O[5]B[5,5])(CH3)(H){1|H<1>,2|C<3>,2|O<2>}	H(CC[5]HH)	109.4642	0.048	10	109.4642	0.002	10	109.4642	0.002	10	109.1758	7.889	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]O[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,3|C<3>}	H(CC[5]HH)	109.4663	0.057	16	109.4663	0.003	16	109.4699	0.003	21	109.1758	7.889	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]O[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H){1|H<1>,1|N<2>,2|C<3>}	H(CC[5]HH)	109.4950	0.011	3	109.4814	0.000	5	109.4699	0.003	21	109.1758	7.889	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]O[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4610	0.008	2	109.4814	0.000	5	109.4699	0.003	21	109.1758	7.889	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:O-1:	C-4:	C(C[5]C[5,6a]O[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(CH3)(O)	H(CC[5]HH)	C(C[5]C[5,6a]O[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(CH3)(O){1|O<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4710	0.013	2	109.4710	0.000	2	109.4710	0.000	2	109.1758	7.889	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C)(C[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C)(C[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	H(CC[5]HH)	108.9023	1.964	3	108.9023	3.858	3	108.9023	3.858	3	109.1758	7.889	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>}	H(CC[5]HH)	109.4743	0.038	3	109.4743	0.001	3	109.4791	0.002	12	109.1758	7.889	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HH)	109.4563	0.013	3	109.4563	0.000	3	109.4791	0.002	12	109.1758	7.889	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]O)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]O)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4763	0.066	3	109.4763	0.004	3	109.4791	0.002	12	109.1758	7.889	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]O)(O[5]Ga[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]O)(O[5]Ga[5])(CH3)(H){2|C<4>}	H(CC[5]HH)	109.5093	0.032	3	109.5093	0.001	3	109.4791	0.002	12	109.1758	7.889	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(H)3	C[5](C[5]C[5]O)(S[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]S[5]H)(H)3	C[5](C[5]C[5]O)(S[5]C[5])(CH3)(H){1|C<4>,1|O<1>}	H(CC[5]HH)	109.4587	0.028	3	109.4587	0.001	3	107.5442	58.540	9	109.1758	7.889	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(H)3	C[5](C[5]N[5,5a]O)(S[5]C[5,5a])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]S[5]H)(H)3	C[5](C[5]N[5,5a]O)(S[5]C[5,5a])(CH3)(H){2|C<3>}	H(CC[5]HH)	103.6993	14.174	3	103.6993	200.896	3	107.5442	58.540	9	109.1758	7.889	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(H)3	C[5](C[5]N[5]O)(S[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]S[5]H)(H)3	C[5](C[5]N[5]O)(S[5]C[5])(CH3)(H){1|C<3>,1|S<1>}	H(CC[5]HH)	109.4747	0.038	3	109.4747	0.001	3	107.5442	58.540	9	109.1758	7.889	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:S[5]-2:C-4:H-1:	C-4:	C(C[5]N[5,5]S[5]H)(H)3	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,5]S[5]H)(H)3	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(CH3)(H){1|C<3>,1|N<3>,1|S<1>,3|H<1>}	H(CC[5]HH)	109.4570	0.015	3	109.4570	0.000	3	109.4570	0.000	3	109.1758	7.889	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]N[5]O[5]H)(H)3	C[5](N[5]C[5]O)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]N[5]O[5]H)(H)3	C[5](N[5]C[5]O)(O[5]C[5])(CH3)(H){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4413	0.028	3	109.4413	0.001	3	109.4413	0.001	3	109.1758	7.889	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:2:	4:	C[5]-4:Br-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(Br)(H)2	C[5](C[5]S[5]O)(N[5]C[5])(CBrHH)(OH)	H(CC[5]BrH)	C(C[5]C[5]N[5]O)(Br)(H)2	C[5](C[5]S[5]O)(N[5]C[5])(CBrHH)(OH){1|C<3>}	H(CC[5]BrH)	109.4090	0.034	2	109.4090	0.001	2	109.4090	0.001	2	109.4613	0.008	51	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:2:	4:	C[5]-4:Br-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]S[5]O)(Br)(H)2	C[5](C[5]N[5]O)(S[5]C[5])(CBrHH)(OH)	H(CC[5]BrH)	C(C[5]C[5]S[5]O)(Br)(H)2	C[5](C[5]N[5]O)(S[5]C[5])(CBrHH)(OH){1|C<3>}	H(CC[5]BrH)	109.0675	0.025	2	109.0675	0.001	2	109.0675	0.001	2	109.4613	0.008	51	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-2:	C-4:	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(CC)	H(CC[5]HH)	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(CC){1|C<4>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4733	0.025	3	109.4733	0.001	3	109.4733	0.001	3	109.4613	0.008	51	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5,6a]O[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6a]O[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(CH3)(OH){1|O<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4685	0.008	2	109.4685	0.000	2	109.4809	0.000	8	109.4613	0.008	51	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5,6a]O[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6a]O[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(OH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4850	0.020	6	109.4850	0.000	6	109.4809	0.000	8	109.4613	0.008	51	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(OC){2|C<3>}	H(CC[5]HH)	109.4930	0.038	6	109.4930	0.001	6	109.4807	0.002	36	109.4613	0.008	51	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC){2|C<3>}	H(CC[5]HH)	109.4762	0.050	24	109.4762	0.002	24	109.4807	0.002	36	109.4613	0.008	51	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)(OC){1|O<1>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4987	0.028	3	109.4987	0.001	3	109.4807	0.002	36	109.4613	0.008	51	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(OH){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4580	0.000	1	109.4580	0.000	1	109.4807	0.002	36	109.4613	0.008	51	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)(OC){1|C<4>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4825	0.022	2	109.4825	0.000	2	109.4807	0.002	36	109.4613	0.008	51	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5])(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5])(CH3)(COO){1|C<3>}	H(CC[5]HH)	109.4664	0.046	5	109.4664	0.002	5	109.4664	0.002	5	109.4458	0.042	55	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO){1|C<3>,3|C<4>}	H(CC[5]HH)	109.4370	0.030	3	109.4772	0.003	6	109.4544	0.057	34	109.4458	0.042	55	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO){4|C<4>}	H(CC[5]HH)	109.5173	0.037	3	109.4772	0.003	6	109.4544	0.057	34	109.4458	0.042	55	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(CCH){2|C<3>}	H(CC[5]HH)	109.4780	0.065	5	109.4780	0.004	5	109.4544	0.057	34	109.4458	0.042	55	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(COO){1|O<1>,1|O<2>}	H(CC[5]HH)	109.4016	0.409	11	109.4016	0.167	11	109.4544	0.057	34	109.4458	0.042	55	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4645	0.020	6	109.4645	0.000	6	109.4544	0.057	34	109.4458	0.042	55	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4840	0.015	3	109.4983	0.027	6	109.4544	0.057	34	109.4458	0.042	55	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>}	H(CC[5]HH)	109.5127	0.261	3	109.4983	0.027	6	109.4544	0.057	34	109.4458	0.042	55	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:N-3:	C-4:	C(C[5]C[5]O[5]N)(H)3	C[5](C[5]N[5,6]O)(O[5]C[5,6])(CH3)(NCH)	H(CC[5]HH)	C(C[5]C[5]O[5]N)(H)3	C[5](C[5]N[5,6]O)(O[5]C[5,6])(CH3)(NCH){1|O<2>,2|C<4>}	H(CC[5]HH)	109.3018	0.253	5	109.3018	0.064	5	109.3018	0.064	5	109.4458	0.042	55	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:O[5]-2:C-4:C-3:	C-4:	C(C[5]N[5,5]O[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO)	H(CC[5]HH)	C(C[5]N[5,5]O[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4754	0.033	11	109.4754	0.001	11	109.4754	0.001	11	109.4458	0.042	55	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:F-1:F-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(F)2(H)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCHH)(CFFH)	H(CC[5]FF)	C(C[5]N[5]O[5]C)(F)2(H)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCHH)(CFFH){2|C<3>}	H(CC[5]FF)	109.9010	0.000	1	109.9010	0.000	1	109.9010	0.000	1	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|C<4>,3|C<3>}	H(CC[5]HH)	109.4593	0.048	3	109.4702	0.001	8	109.4702	0.001	8	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{4|C<3>}	H(CC[5]HH)	109.4768	0.023	5	109.4702	0.001	8	109.4702	0.001	8	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5a]O[5]C)(H)3	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5a]O[5]C)(H)3	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(CC[5]HH)	109.4696	0.012	5	109.4696	0.000	5	109.4624	0.000	12	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5a]O[5]C)(H)3	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5a]O[5]C)(H)3	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CH3)2{2|H<1>,3|C<3>}	H(CC[5]HH)	109.4552	0.029	5	109.4552	0.001	5	109.4624	0.000	12	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5a]O[5]C)(H)3	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CHHN)(CH3)	H(CC[5]HH)	C(C[5]C[5,5a]O[5]C)(H)3	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CHHN)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4625	0.009	2	109.4625	0.000	2	109.4624	0.000	12	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{2|C<3>,2|O<1>}	H(CC[5]HH)	109.4680	0.024	5	109.4680	0.001	5	109.4710	0.001	10	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(CH3)2{1|C<3>,1|O<1>,1|S<4>}	H(CC[5]HH)	109.4740	0.026	5	109.4740	0.001	5	109.4710	0.001	10	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)(CH3){1|H<1>,2|C<3>,2|O<1>}	H(CC[5]HH)	110.7297	2.653	3	110.7297	7.038	3	110.7297	7.038	3	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(CH3)2{1|H<1>,1|O<2>,3|C<3>}	H(CC[5]HH)	109.4849	0.039	14	109.4849	0.002	14	109.5078	0.032	129	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4605	0.043	6	109.4605	0.002	6	109.5078	0.032	129	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|C<4>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4537	0.225	12	109.5575	0.072	50	109.5078	0.032	129	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|H<1>,1|N<2>,2|C<3>}	H(CC[5]HH)	109.4700	0.024	4	109.5575	0.072	50	109.5078	0.032	129	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.6377	0.314	27	109.5575	0.072	50	109.5078	0.032	129	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|H<1>,3|C<3>}	H(CC[5]HH)	109.4763	0.032	7	109.5575	0.072	50	109.5078	0.032	129	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHN)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHN)(CH3){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4693	0.016	3	109.4693	0.000	3	109.5078	0.032	129	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.5248	0.299	5	109.4837	0.012	33	109.5078	0.032	129	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2{1|F<1>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4765	0.033	17	109.4837	0.012	33	109.5078	0.032	129	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2{1|H<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4737	0.025	6	109.4837	0.012	33	109.5078	0.032	129	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2{1|H<1>,2|C<3>,3|F<1>}	H(CC[5]HH)	109.4788	0.042	5	109.4837	0.012	33	109.5078	0.032	129	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]N[6a])(O[5]S[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]N[6a])(O[5]S[5])(CH3)2{2|C<3>,2|O<1>}	H(CC[5]HH)	109.4655	0.030	10	109.4655	0.001	10	109.5078	0.032	129	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(CH3)2{1|O<1>,2|C<3>}	H(CC[5]HH)	109.4659	0.024	13	109.4659	0.001	13	109.5078	0.032	129	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]C)(N[5]C[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]C)(N[5]C[5])(CCHH)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4537	0.043	3	109.4537	0.002	3	109.4720	0.001	61	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5,6]O)(N[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5,6]O)(N[5]C[5,6])(CH3)2{2|C<4>}	H(CC[5]HH)	109.4526	0.053	5	109.4526	0.003	5	109.4720	0.001	61	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4465	0.022	6	109.4585	0.001	12	109.4720	0.001	61	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|Cu<5>,1|C<3>}	H(CC[5]HH)	109.4770	0.038	3	109.4585	0.001	12	109.4720	0.001	61	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|H<1>,1|S<1>}	H(CC[5]HH)	109.4640	0.021	3	109.4585	0.001	12	109.4720	0.001	61	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4723	0.023	3	109.4723	0.001	3	109.4720	0.001	61	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2{1|C<3>,1|N<3>}	H(CC[5]HH)	109.4800	0.029	6	109.4797	0.002	26	109.4720	0.001	61	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2{1|C<4>,1|O<1>}	H(CC[5]HH)	109.4796	0.044	20	109.4797	0.002	26	109.4720	0.001	61	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]C)(N[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]C)(N[5]C[5])(CH3)2{1|C<3>}	H(CC[5]HH)	109.4722	0.040	5	109.4722	0.002	5	109.4720	0.001	61	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5])(CCHN)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5])(CCHN)(CH3){1|C<3>}	H(CC[5]HH)	109.5067	0.017	3	109.5067	0.000	3	109.4720	0.001	61	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5])(CH3)2{1|C<4>}	H(CC[5]HH)	109.4745	0.029	4	109.4745	0.001	4	109.4720	0.001	61	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]C)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]C)(O[5]C[5])(CH3)2{1|O<1>,2|C<3>}	H(CC[5]HH)	109.4302	0.060	5	109.4302	0.004	5	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.4494	0.032	5	109.4494	0.001	5	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2{2|C<3>}	H(CC[5]HH)	109.5424	0.507	16	109.5424	0.257	16	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CHHO)(CH3){2|C<3>}	H(CC[5]HH)	109.4704	0.033	5	109.4704	0.001	5	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)(CH3){2|C<3>}	H(CC[5]HH)	109.4767	0.021	3	109.4767	0.000	3	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)2{2|C<3>}	H(CC[5]HH)	109.4530	0.033	5	109.4530	0.001	5	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]B[5])(CH3)2{1|C<3>,1|O<2>}	H(CC[5]HH)	110.0550	4.338	6	110.0550	18.815	6	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<2>,1|C<3>}	H(CC[5]HH)	109.4727	0.724	100	109.4821	0.609	141	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<2>,1|O<1>}	H(CC[5]HH)	109.7453	1.162	6	109.4821	0.609	141	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|S<2>}	H(CC[5]HH)	109.3599	0.889	12	109.4821	0.609	141	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|S<4>}	H(CC[5]HH)	109.4073	1.126	12	109.4821	0.609	141	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,1|O<1>}	H(CC[5]HH)	109.4624	0.023	5	109.4821	0.609	141	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|O<1>,1|S<4>}	H(CC[5]HH)	109.7858	0.745	6	109.4821	0.609	141	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]O[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]C)(O[5]O[5])(CH3)2{1|C<4>,1|O<2>}	H(CC[5]HH)	109.4470	0.063	4	109.4470	0.004	4	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]Cl)(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]Cl)(O[5]C[5,6])(CH3)2{1|C<3>,1|I<1>,1|O<2>}	H(CC[5]HH)	109.4694	0.042	5	109.4694	0.002	5	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4666	0.034	5	109.4666	0.001	5	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(CH3){1|Br<1>,1|O<1>}	H(CC[5]HH)	109.4707	0.023	3	109.4707	0.001	3	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>}	H(CC[5]HH)	109.4554	0.051	8	109.4746	0.002	24	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4864	0.031	8	109.4746	0.002	24	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2{1|C<4>,1|O<2>}	H(CC[5]HH)	109.4821	0.054	8	109.4746	0.002	24	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2{1|N<3>,2|C<4>}	H(CC[5]HH)	109.4676	0.030	11	109.4676	0.001	11	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4970	0.006	2	109.4712	0.001	5	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4540	0.029	3	109.4712	0.001	5	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4535	0.018	2	109.4535	0.000	2	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4841	0.031	10	109.4784	0.001	34	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|S<4>,2|H<1>}	H(CC[5]HH)	109.4796	0.021	9	109.4784	0.001	34	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<4>,1|H<1>}	H(CC[5]HH)	109.4686	0.041	5	109.4784	0.001	34	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<4>,1|S<4>,2|H<1>}	H(CC[5]HH)	109.4802	0.020	4	109.4784	0.001	34	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|Cl<1>,1|C<3>,1|H<1>,1|S<2>}	H(CC[5]HH)	109.4740	0.043	6	109.4784	0.001	34	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]S)(O[5]S[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]S)(O[5]S[5])(CH3)2{1|C<3>,2|O<1>}	H(CC[5]HH)	109.4584	0.056	5	109.4584	0.003	5	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCHH)(CH3){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4533	0.046	3	109.4533	0.002	3	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2{1|C<2>,3|C<3>}	H(CC[5]HH)	109.4491	0.029	10	109.4609	0.001	15	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2{1|O<1>,3|C<3>}	H(CC[5]HH)	109.4844	0.040	5	109.4609	0.001	15	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	107.8790	0.798	3	107.8790	0.636	3	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	109.5127	0.516	3	109.5127	0.266	3	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]C)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.0932	1.371	11	109.0932	1.880	11	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CCFH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CCFH)(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4530	0.051	5	109.4530	0.003	5	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CCHH)(CH3){1|C<3>}	H(CC[5]HH)	109.4590	0.000	1	109.4590	0.000	1	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CCHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CCHO)(CH3){1|C<3>}	H(CC[5]HH)	109.4967	1.212	3	109.4967	1.469	3	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CC[6]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CC[6]HH)(CH3){1|H<1>,1|O<1>}	H(CC[5]HH)	109.4590	0.000	1	109.4590	0.000	1	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4780	0.048	6	109.4780	0.002	6	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(O[5]C[5])(CHHO)(CH3){1|C<4>,1|O<1>}	H(CC[5]HH)	109.4685	0.056	2	109.4685	0.003	2	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2{1|C<3>}	H(CC[5]HH)	109.4838	0.075	5	109.4806	0.005	10	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2{1|C<4>}	H(CC[5]HH)	109.4774	0.073	5	109.4806	0.005	10	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|C<4>}	H(CC[5]HH)	109.4598	0.031	5	109.4605	0.459	11	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2{1|O<1>}	H(CC[5]HH)	109.4610	0.957	6	109.4605	0.459	11	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]N)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]N)(O[5]C[5])(CH3)2{1|C<3>,1|C<4>}	H(CC[5]HH)	109.4880	0.031	4	109.4880	0.001	4	109.4625	0.617	362	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.3943	1.349	6	109.6960	1.683	35	109.6960	1.683	35	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2{1|C<3>,1|C<4>}	H(CC[5]HH)	109.6600	1.031	6	109.6960	1.683	35	109.6960	1.683	35	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2{1|C<3>}	H(CC[5]HH)	109.8467	1.521	19	109.6960	1.683	35	109.6960	1.683	35	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:S[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2{1|N<3>}	H(CC[5]HH)	109.4868	0.017	4	109.6960	1.683	35	109.6960	1.683	35	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[3,5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]N[3,5]N[5]C)(H)3	C[5](N[3,5]C[3,5]C[3])(N[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[3,5]N[5]C)(H)3	C[5](N[3,5]C[3,5]C[3])(N[5]C[5])(CH3)2{2|C<3>,2|H<1>}	H(CC[5]HH)	109.3859	1.629	17	109.3859	2.655	17	109.3859	2.655	17	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5,5]O[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5,5]O[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|O<1>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4724	0.046	5	108.9412	1.376	16	108.9412	1.376	16	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5,5]O[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5,5]O[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|O<1>,2|C<4>,3|H<1>}	H(CC[5]HH)	108.6997	1.363	11	108.9412	1.376	16	108.9412	1.376	16	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5,6]O[5]C)(H)3	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5,6]O[5]C)(H)3	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(CC[5]HH)	109.4880	0.014	5	109.4797	0.000	8	109.4797	0.000	8	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5,6]O[5]C)(H)3	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5,6]O[5]C)(H)3	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4660	0.024	3	109.4797	0.000	8	109.4797	0.000	8	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:S[5]-2:C-4:C-4:	C-4:	C(C[5]N[5,6]S[5]C)(H)3	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5,6]S[5]C)(H)3	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(CC[5]HH)	109.4737	0.024	4	109.4766	0.000	9	109.4766	0.000	9	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:S[5]-2:C-4:C-4:	C-4:	C(C[5]N[5,6]S[5]C)(H)3	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5,6]S[5]C)(H)3	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4788	0.021	5	109.4766	0.000	9	109.4766	0.000	9	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a])(CH3)2	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a])(CH3)2{2|C<3>}	H(CC[5]HH)	109.4250	0.070	5	109.4250	0.005	5	109.6473	10.839	42	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]H)(N[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]H)(N[5]C[5])(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4667	0.016	3	109.4667	0.000	3	109.6473	10.839	42	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]O)(N[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]O)(N[5]C[5])(CH3)2{1|N<3>,2|C<4>}	H(CC[5]HH)	110.0250	1.418	6	109.7782	1.086	11	109.6473	10.839	42	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]O)(N[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]O)(N[5]C[5])(CH3)2{2|C<3>}	H(CC[5]HH)	109.4820	0.025	5	109.7782	1.086	11	109.6473	10.839	42	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)(CH3){1|S<1>,2|C<3>}	H(CC[5]HH)	109.4573	0.086	3	109.4573	0.007	3	109.6473	10.839	42	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)2{1|S<1>,2|C<3>}	H(CC[5]HH)	109.4716	0.031	14	109.4716	0.001	14	109.6473	10.839	42	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]N[5]O)(N[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]N[5]O)(N[5]C[5])(CH3)2{1|O<1>}	H(CC[5]HH)	110.1876	9.281	6	110.1876	86.132	6	109.6473	10.839	42	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5,6]C)(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5,6]C)(O[5]C[5,6])(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	110.2370	2.470	6	110.2370	6.102	6	109.5596	0.589	300	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5,6]S)(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5,6]S)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4647	0.036	4	109.4647	0.001	4	109.5596	0.589	300	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(CCHH)(CH3){2|C<3>}	H(CC[5]HH)	109.4620	0.029	3	109.4620	0.001	3	109.5596	0.589	300	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4890	0.008	2	109.4890	0.000	2	109.5596	0.589	300	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,3|H<1>}	H(CC[5]HH)	109.4739	0.041	18	109.5139	0.334	234	109.5596	0.589	300	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4733	0.038	32	109.5139	0.334	234	109.5596	0.589	300	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	H(CC[5]HH)	109.4760	0.038	115	109.5139	0.334	234	109.5596	0.589	300	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	H(CC[5]HH)	110.3382	2.150	12	109.5139	0.334	234	109.5596	0.589	300	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|O<1>,2|C<4>}	H(CC[5]HH)	109.4754	0.033	30	109.5139	0.334	234	109.5596	0.589	300	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	109.4266	0.835	27	109.5139	0.334	234	109.5596	0.589	300	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2{1|C<3>,3|H<1>}	H(CC[5]HH)	109.4740	0.055	14	109.4697	0.002	26	109.5596	0.589	300	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	H(CC[5]HH)	109.4586	0.033	7	109.4697	0.002	26	109.5596	0.589	300	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	109.4734	0.038	5	109.4697	0.002	26	109.5596	0.589	300	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,3|C<3>}	H(CC[5]HH)	111.4373	2.921	6	110.6511	5.771	10	109.5596	0.589	300	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2{2|N<2>,4|H<1>}	H(CC[5]HH)	109.4718	0.034	4	110.6511	5.771	10	109.5596	0.589	300	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[6a]C[5])(O[5]N[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[6a]C[5])(O[5]N[5])(CCHH)(CH3){3|C<3>}	H(CC[5]HH)	109.5063	0.023	3	109.5063	0.001	3	109.5596	0.589	300	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[6a]C[5])(O[5]N[5])(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[6a]C[5])(O[5]N[5])(CC[5]HH)(CH3){3|C<3>}	H(CC[5]HH)	109.4763	0.049	6	109.4763	0.002	6	109.5596	0.589	300	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]N[5]C)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]N[5]C)(O[5]C[5])(CH3)2{1|C<3>}	H(CC[5]HH)	109.4817	0.029	6	109.4817	0.001	6	109.5596	0.589	300	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(CH3)2	H(CC[5]HH)	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(CH3)2{2|C<3>}	H(CC[5]HH)	109.4947	0.045	3	109.4947	0.002	3	109.4787	0.001	23	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(CCHH)(CH3){2|C<3>}	H(CC[5]HH)	109.4695	0.021	2	109.4695	0.000	2	109.4787	0.001	23	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]C[5]C)(S[5]C[5])(CH3)2{1|H<1>,1|S<2>,2|C<4>}	H(CC[5]HH)	109.4745	0.028	4	109.4745	0.001	4	109.4787	0.001	23	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]C[5]N)(S[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]C[5]N)(S[5]C[5])(CH3)2{1|O<1>,2|H<1>}	H(CC[5]HH)	109.4960	0.061	5	109.4960	0.004	5	109.4787	0.001	23	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]N[5]C)(S[5]C[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]N[5]C)(S[5]C[5])(CCHH)(CH3){1|N<3>}	H(CC[5]HH)	109.4683	0.020	3	109.4683	0.000	3	109.4787	0.001	23	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]N[5]C)(S[5]C[5])(CCHN)(CH3)	H(CC[5]HH)	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]N[5]C)(S[5]C[5])(CCHN)(CH3){1|N<3>}	H(CC[5]HH)	109.4760	0.000	1	109.4760	0.000	1	109.4787	0.001	23	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:S[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]N[5]C)(S[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5]S[5]C)(H)3	C[5](N[5]N[5]C)(S[5]C[5])(CH3)2{1|N<3>}	H(CC[5]HH)	109.4658	0.035	5	109.4658	0.001	5	109.4787	0.001	23	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5]Mn)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](O[5]C[5]Mn)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	H(CC[5]HH)	109.4951	0.909	12	109.4951	0.827	12	109.4951	0.827	12	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:2:4:4:	4:	C[5]-4:H-1:H-1:O-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)2(O)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(H)2(O)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CHHO)(CH3){2|C<3>}	H(CC[5]HO)	109.1060	0.123	4	109.1060	0.015	4	109.1060	0.015	4	109.5061	0.957	1052	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:Br-1:H-1:H-1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(Br)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CBrHH)	H(CC[5]BrH)	C(C[5]C[6a]C[5]O[5])(Br)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CBrHH){1|N<2>,2|H<1>,3|C<3>}	H(CC[5]BrH)	109.1665	0.008	2	109.1665	0.000	2	109.1665	0.000	2	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5,6a]C[5]O[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]O[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])(CH3){1|O<2>,2|C<3>,2|O<1>,3|C<4>}	H(CC[5]HH)	109.4570	0.016	2	109.4570	0.000	2	109.4570	0.000	2	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:S-2:C-4:	C-4:	C(C[5]C[5,6a]C[5]S)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]S)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4688	0.026	5	109.4688	0.001	5	109.4688	0.001	5	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5,6a]C[6a]O[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[6a]O[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|O<1>,2|H<1>,5|C<3>}	H(CC[5]HH)	109.4780	0.056	4	109.4780	0.003	4	109.4780	0.003	4	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:Ga-2:C-4:	C-4:	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]C)2(GaC[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]C)2(GaC[5])(CH3){2|C<4>}	H(CC[5]HH)	109.4844	0.032	9	109.4844	0.001	9	109.4940	0.002	22	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:Ga-2:C-4:	C-4:	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]C)2(GaMo)(CH3)	H(CC[5]HH)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]C)2(GaMo)(CH3){2|C<4>}	H(CC[5]HH)	109.5015	0.087	2	109.5015	0.008	2	109.4940	0.002	22	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:Ga-2:C-4:	C-4:	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]C)2(GaRh)(CH3)	H(CC[5]HH)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]C)2(GaRh)(CH3){2|C<4>}	H(CC[5]HH)	109.4920	0.010	2	109.4920	0.000	2	109.4940	0.002	22	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:Ga-2:C-4:	C-4:	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]C)2(GaRu)(CH3)	H(CC[5]HH)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]C)2(GaRu)(CH3){2|C<4>}	H(CC[5]HH)	109.5023	0.050	9	109.5023	0.003	9	109.4940	0.002	22	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:In-2:C-4:	C-4:	C(C[5]C[5]2In)(H)3	C[5](C[5]C[5]C)2(InRh)(CH3)	H(CC[5]HH)	C(C[5]C[5]2In)(H)3	C[5](C[5]C[5]C)2(InRh)(CH3){2|C<4>}	H(CC[5]HH)	109.4753	0.058	6	109.4753	0.003	6	109.4873	0.002	9	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:In-2:C-4:	C-4:	C(C[5]C[5]2In)(H)3	C[5](C[5]C[5]C)2(InRu)(CH3)	H(CC[5]HH)	C(C[5]C[5]2In)(H)3	C[5](C[5]C[5]C)2(InRu)(CH3){2|C<4>}	H(CC[5]HH)	109.5113	0.010	3	109.5113	0.000	3	109.4873	0.002	9	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:C-4:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(ON[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(ON[5])(CH3){1|C<3>}	H(CC[5]HH)	109.4462	0.052	5	109.4462	0.003	5	109.4462	0.003	5	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(CC[5]HH)	109.4590	0.023	5	109.4590	0.001	5	109.4590	0.001	5	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|Cl<1>,1|H<1>,1|O<1>,5|C<3>}	H(CC[5]HH)	109.4473	0.050	6	109.4461	0.002	8	109.4461	0.002	8	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|Cl<1>,1|H<1>,6|C<3>}	H(CC[5]HH)	109.4425	0.015	2	109.4461	0.002	8	109.4461	0.002	8	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5a]N[5]O[5])(H)3	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5a]N[5]O[5])(H)3	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	H(CC[5]HH)	109.4827	0.032	3	109.4827	0.001	3	109.4827	0.001	3	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CH3){2|H<1>,4|C<3>}	H(CC[5]HH)	109.4447	0.031	3	109.4447	0.001	3	109.4447	0.001	3	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[6a]N[5]O[5])(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(CC[5]HH)	109.4677	0.011	3	109.4653	0.000	14	109.4719	0.000	24	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[6a]N[5]O[5])(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,3|C<3>,4|H<1>}	H(CC[5]HH)	109.4557	0.024	3	109.4653	0.000	14	109.4719	0.000	24	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[6a]N[5]O[5])(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|N<3>,3|C<3>,4|H<1>}	H(CC[5]HH)	109.4695	0.013	6	109.4653	0.000	14	109.4719	0.000	24	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[6a]N[5]O[5])(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	H(CC[5]HH)	109.4635	0.016	2	109.4653	0.000	14	109.4719	0.000	24	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(H)3	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[6a]N[5]O[5])(H)3	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3){1|H<1>,1|O<2>,3|C<3>}	H(CC[5]HH)	109.4917	0.026	3	109.4811	0.000	10	109.4719	0.000	24	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(H)3	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[6a]N[5]O[5])(H)3	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3){2|H<1>,3|C<3>}	H(CC[5]HH)	109.4766	0.012	7	109.4811	0.000	10	109.4719	0.000	24	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[6a]N[5]S[5])(H)3	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[6a]N[5]S[5])(H)3	C[5](C[6a]C[6a]2)(N[5]N[5]C)(S[5]C[5])(CH3){1|N<3>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4650	0.017	5	109.4650	0.000	5	109.4650	0.000	5	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[6a]-3:O[5]-2:C-4:	C-4:	C(C[5]N[5,5]C[6a]O[5])(H)3	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]N[5,5]C[6a]O[5])(H)3	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(CC[5]HH)	109.4667	0.046	3	109.4667	0.002	3	109.4667	0.002	3	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[6a]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(H)3	C[5](N[5]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	H(CC[5]HH)	C(C[5]C[6a]N[5]O[5])(H)3	C[5](N[5]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,6|C<3>}	H(CC[5]HH)	109.4580	0.042	3	109.4580	0.002	3	109.4580	0.002	3	109.4666	0.003	103	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:Br-1:Br-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]N[5,6]C[6a]C[5])(Br)2(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(CBr2H)	H(CC[5]Br2)	C(C[5]N[5,6]C[6a]C[5])(Br)2(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(CBr2H){3|H<1>,4|C<3>}	H(CC[5]Br2)	107.3400	0.000	1	107.3400	0.000	1	107.3400	0.000	1	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	B[5,5]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]B[5,5]C[6a]C[5])(H)3	C[5](B[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]B[5,5]C[6a]C[5])(H)3	C[5](B[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>,4|C<4>}	H(CC[5]HH)	109.4855	0.036	2	109.4855	0.001	2	109.4855	0.001	2	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]2C[6a])(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]2C[6a])(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CH3){3|H<1>,7|C<3>}	H(CC[5]HH)	109.7090	0.793	3	109.7090	0.628	3	109.7090	0.628	3	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4817	0.035	6	109.4817	0.001	6	109.4736	0.001	12	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4617	0.036	3	109.4617	0.001	3	109.4736	0.001	12	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5]O)(CH3){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4693	0.022	3	109.4693	0.001	3	109.4736	0.001	12	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]N)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CH3){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4887	0.024	3	109.4887	0.001	3	109.4628	0.001	9	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]N)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O)(CH3){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4498	0.036	6	109.4498	0.001	6	109.4628	0.001	9	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(CH3){1|N<3>,3|H<1>,6|C<3>}	H(CC[5]HH)	109.4845	0.016	2	109.4845	0.000	2	109.4845	0.000	2	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){1|O<2>,2|H<1>,5|C<3>}	H(CC[5]HH)	109.4713	0.016	3	109.4762	0.001	5	109.4645	0.001	17	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){3|H<1>,5|C<3>}	H(CC[5]HH)	109.4835	0.037	2	109.4762	0.001	5	109.4645	0.001	17	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(CH3){3|H<1>,5|C<3>}	H(CC[5]HH)	109.4575	0.042	2	109.4575	0.002	2	109.4645	0.001	17	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(CC[5]HH)	109.4520	0.057	3	109.4622	0.002	8	109.4645	0.001	17	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4770	0.013	2	109.4622	0.002	8	109.4645	0.001	17	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	H(CC[5]HH)	109.4627	0.046	3	109.4622	0.002	8	109.4645	0.001	17	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CH3){3|H<1>,4|C<3>}	H(CC[5]HH)	109.4510	0.011	2	109.4510	0.000	2	109.4645	0.001	17	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[6a]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CH3){1|O<1>,3|H<1>,4|C<3>}	H(CC[5]HH)	109.4730	0.019	3	109.4730	0.000	3	109.4730	0.000	3	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:As-3:C-4:	C-4:	C(C[5]C[5]2As)(H)3	C[5](C[5]C[5]C)2(AsWW)(CH3)	H(CC[5]HH)	C(C[5]C[5]2As)(H)3	C[5](C[5]C[5]C)2(AsWW)(CH3){2|C<4>}	H(CC[5]HH)	109.5128	0.039	5	109.5128	0.002	5	109.5128	0.002	5	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:B-3:C-4:	C-4:	C(C[5]C[5]2B)(H)3	C[5](C[5]C[5]C)2(BC[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2B)(H)3	C[5](C[5]C[5]C)2(BC[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4560	0.043	7	109.4560	0.002	7	109.4626	0.001	13	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:B-3:C-4:	C-4:	C(C[5]C[5]2B)(H)3	C[5](C[5]C[5]C)2(BC[5]Cl)(CH3)	H(CC[5]HH)	C(C[5]C[5]2B)(H)3	C[5](C[5]C[5]C)2(BC[5]Cl)(CH3){2|C<4>}	H(CC[5]HH)	109.4703	0.029	6	109.4703	0.001	6	109.4626	0.001	13	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)2(CC[6a]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)2(CC[6a]C)(CH3){2|C<4>}	H(CC[5]HH)	109.5323	0.099	3	109.5323	0.010	3	109.4956	0.008	5	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-3:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)2(CPtO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)2(CPtO)(CH3){2|C<4>}	H(CC[5]HH)	109.4405	0.054	2	109.4405	0.003	2	109.4956	0.008	5	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CH3){2|H<1>,8|C<3>}	H(CC[5]HH)	109.4627	0.013	3	109.4627	0.000	3	109.4627	0.000	3	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:Ga-3:C-4:	C-4:	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]C)2(GaC[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]C)2(GaC[5]C)(CH3){2|C<4>}	H(CC[5]HH)	109.4610	0.033	5	109.4610	0.001	5	109.4840	0.002	19	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:Ga-3:C-4:	C-4:	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]C)2(GaC[5]Cl)(CH3)	H(CC[5]HH)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]C)2(GaC[5]Cl)(CH3){2|C<4>}	H(CC[5]HH)	109.5032	0.058	6	109.5032	0.003	6	109.4840	0.002	19	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:Ga-3:C-4:	C-4:	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]C)2(GaClRu)(CH3)	H(CC[5]HH)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]C)2(GaClRu)(CH3){2|C<1>}	H(CC[5]HH)	109.4943	0.036	3	109.4943	0.001	3	109.4840	0.002	19	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:Ga-3:C-4:	C-4:	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]C)2(GaRu2)(CH3)	H(CC[5]HH)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]C)2(GaRu2)(CH3){2|C<4>}	H(CC[5]HH)	109.4778	0.033	5	109.4778	0.001	5	109.4840	0.002	19	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-3:C-4:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)(CH3){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4477	0.014	3	109.4477	0.000	3	109.4472	0.001	5	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-3:C-4:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]C)2(NLaN)(CH3)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]C)2(NLaN)(CH3){2|C<4>}	H(CC[5]HH)	109.4465	0.043	2	109.4465	0.002	2	109.4472	0.001	5	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-3:C-4:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]C)2(OZn2)(CH3)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]C)2(OZn2)(CH3){2|C<4>}	H(CC[5]HH)	109.4718	0.042	5	109.4718	0.002	5	109.4718	0.002	5	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:P[5]-3:C-4:	C-4:	C(C[5]C[5]2P[5])(H)3	C[5](C[5]C[5]C)2(P[5]C[5]2)(CH3)	H(CC[5]HH)	C(C[5]C[5]2P[5])(H)3	C[5](C[5]C[5]C)2(P[5]C[5]2)(CH3){2|C<4>,4|C<3>}	H(CC[5]HH)	109.4453	0.010	3	109.4453	0.000	3	109.4563	0.001	6	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:P[5]-3:C-4:	C-4:	C(C[5]C[5]2P[5])(H)3	C[5](C[5]C[5]C)2(P[5]N[5]2)(CH3)	H(CC[5]HH)	C(C[5]C[5]2P[5])(H)3	C[5](C[5]C[5]C)2(P[5]N[5]2)(CH3){2|C<4>,4|C<3>}	H(CC[5]HH)	109.4673	0.031	3	109.4673	0.001	3	109.4563	0.001	6	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:Si-3:C-4:	C-4:	C(C[5]C[5]2Si)(H)3	C[5](C[5]C[5]C)2(SiC[5]Si)(CH3)	H(CC[5]HH)	C(C[5]C[5]2Si)(H)3	C[5](C[5]C[5]C)2(SiC[5]Si)(CH3){2|C<4>}	H(CC[5]HH)	111.8903	1.319	3	111.8903	1.739	3	110.3880	2.045	8	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:Si-3:C-4:	C-4:	C(C[5]C[5]2Si)(H)3	C[5](C[5]C[5]C)2(SiSiN)(CH3)	H(CC[5]HH)	C(C[5]C[5]2Si)(H)3	C[5](C[5]C[5]C)2(SiSiN)(CH3){2|C<4>}	H(CC[5]HH)	109.4866	0.039	5	109.4866	0.001	5	110.3880	2.045	8	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	H(CC[5]HH)	109.4800	0.008	3	109.4800	0.000	3	109.4744	0.000	5	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)(CH3){2|C<4>,3|H<1>,4|C<3>}	H(CC[5]HH)	109.4660	0.014	2	109.4660	0.000	2	109.4744	0.000	5	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(C[5]P[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4653	0.027	3	109.4653	0.001	3	109.4653	0.001	3	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5a]C[5]N[5])(H)3	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)	H(CC[5]HH)	C(C[5]C[5a]C[5]N[5])(H)3	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3){1|C<4>,1|N<3>,4|C<3>}	H(CC[5]HH)	110.6727	3.604	3	110.6727	12.987	3	110.0738	5.625	6	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5a]C[5]N[5])(H)3	C[5](C[5a]C[5a]O[5a])(C[5]N[5]O)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5a]C[5]N[5])(H)3	C[5](C[5a]C[5a]O[5a])(C[5]N[5]O)(N[5]C[5]H)(CH3){1|H<1>,1|S<1>,3|C<3>}	H(CC[5]HH)	109.4750	0.009	3	109.4750	0.000	3	110.0738	5.625	6	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6]-3:N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]C[6]N[5])(H)3	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]C[6]N[5])(H)3	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]N[5]O)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4770	0.029	6	109.4770	0.001	6	109.4770	0.001	6	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)(CH3){1|S<2>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4779	0.031	9	109.4779	0.001	9	109.4779	0.001	9	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4823	0.046	3	109.4823	0.002	3	109.4762	0.001	62	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4965	0.008	2	109.4835	0.001	15	109.4762	0.001	62	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4815	0.023	13	109.4835	0.001	15	109.4762	0.001	62	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4620	0.016	2	109.4844	0.002	5	109.4762	0.001	62	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3){3|C<3>,4|H<1>}	H(CC[5]HH)	109.4993	0.046	3	109.4844	0.002	5	109.4762	0.001	62	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4810	0.016	2	109.4793	0.001	20	109.4762	0.001	62	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4860	0.008	2	109.4793	0.001	20	109.4762	0.001	62	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4783	0.034	16	109.4793	0.001	20	109.4762	0.001	62	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]N)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]N)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4687	0.003	3	109.4687	0.000	3	109.4762	0.001	62	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O)(CH3){2|C<3>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.4440	0.018	2	109.4440	0.000	2	109.4762	0.001	62	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]S)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]S)(CH3){1|O<1>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4713	0.032	11	109.4713	0.001	11	109.4762	0.001	62	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]N[6a])(C[5]N[5]O)(N[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]N[6a])(C[5]N[5]O)(N[5]C[5]H)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4450	0.020	3	109.4450	0.000	3	109.4762	0.001	62	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]N[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[6a]N[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4378	0.059	6	109.4378	0.003	6	109.4509	0.003	8	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]N[5]2)(H)3	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[6a]N[5]2)(H)3	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]O)(CH3){1|O<1>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4900	0.030	2	109.4900	0.001	2	109.4509	0.003	8	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	Ga[3]-3:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]Ga[3]C[5]2)(H)3	C[5](Ga[3]C[3,5]2)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]Ga[3]C[5]2)(H)3	C[5](Ga[3]C[3,5]2)(C[5]C[5]C)2(CH3){2|C<3>,4|C<4>}	H(CC[5]HH)	109.4807	0.041	3	109.4807	0.002	3	109.4807	0.002	3	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](N[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](N[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|O<1>,2|H<1>,4|C<3>}	H(CC[5]HH)	109.4817	0.009	3	109.4817	0.000	3	109.4817	0.000	3	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	P[5,5]-3:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]P[5,5]C[5]2)(H)3	C[5](P[5,5]P[3,5,5]C[4x5])(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]P[5,5]C[5]2)(H)3	C[5](P[5,5]P[3,5,5]C[4x5])(C[5]C[5]C)2(CH3){1|Mo<6>,1|H<1>,6|C<4>}	H(CC[5]HH)	109.4530	0.035	3	109.4530	0.001	3	109.4530	0.001	3	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:3:4:	4:	C[5]-4:H-1:H-1:I-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(H)2(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHI)	H(CC[5]HI)	C(C[5]C[5,6a]C[6a]C[5])(H)2(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHI){1|S<4>,3|H<1>,4|C<3>}	H(CC[5]HI)	109.2180	0.017	2	109.2180	0.000	2	109.2180	0.000	2	109.5124	0.253	228	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:Br-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(Br)(H)2	C[5](C[5]C[5]H)(N[5]C[5]S)(CBrHH)(H)	H(CC[5]BrH)	C(C[5]C[5]N[5]H)(Br)(H)2	C[5](C[5]C[5]H)(N[5]C[5]S)(CBrHH)(H){1|C<3>,1|H<1>,1|S<3>}	H(CC[5]BrH)	109.4990	0.566	4	109.4990	0.321	4	109.4990	0.321	4	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:B[5]-3:C-4:H-1:	C-4:	C(C[5]B[5]2H)(H)3	C[5](B[5]N[5]N)2(CH3)(H)	H(CC[5]HH)	C(C[5]B[5]2H)(H)3	C[5](B[5]N[5]N)2(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4617	0.369	3	109.4617	0.136	3	109.4617	0.136	3	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,5a]C[5,6a]H)(H)3	C[5](C[5,5a]C[5a,6a]N[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5a]C[5,6a]H)(H)3	C[5](C[5,5a]C[5a,6a]N[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|H<1>,5|C<3>}	H(CC[5]HH)	109.5150	0.021	3	109.5150	0.000	3	109.4818	0.002	5	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,5a]C[5,6a]H)(H)3	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5a]C[5,6a]H)(H)3	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|H<1>,5|C<3>}	H(CC[5]HH)	109.4320	0.017	2	109.4320	0.000	2	109.4818	0.002	5	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5a]N[5]H)(H)3	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5a]N[5]H)(H)3	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(CH3)(H){1|H<1>,5|C<3>}	H(CC[5]HH)	109.4605	0.023	2	109.4605	0.001	2	109.4605	0.001	2	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H){1|C<3>,3|C<4>}	H(CC[5]HH)	109.5030	0.063	3	109.4870	0.004	12	109.4870	0.004	12	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H){1|H<1>,4|C<4>}	H(CC[5]HH)	109.4817	0.063	9	109.4870	0.004	12	109.4870	0.004	12	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]2H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]2H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CH3)(H){1|H<1>,5|C<3>}	H(CC[5]HH)	109.4822	0.035	6	109.4822	0.001	6	109.5800	0.395	21	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]2H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]2H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(CC[5]HH)	109.4606	0.030	5	109.6192	0.558	15	109.5800	0.395	21	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]2H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]2H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H){2|H<1>,4|C<3>}	H(CC[5]HH)	109.6985	0.920	10	109.6192	0.558	15	109.5800	0.395	21	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4553	0.034	3	109.4688	0.001	10	109.4635	0.001	13	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4708	0.022	5	109.4688	0.001	10	109.4635	0.001	13	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4840	0.028	2	109.4688	0.001	10	109.4635	0.001	13	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4460	0.031	3	109.4460	0.001	3	109.4635	0.001	13	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]N[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(CH3)(H){1|O<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4533	0.013	3	109.4533	0.000	3	109.4034	0.368	13	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]N[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CH3)(H){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4975	0.152	2	109.4975	0.023	2	109.4034	0.368	13	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]N[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.1390	1.434	3	109.1390	2.056	3	109.4034	0.368	13	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]N[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(CH3)(H){1|H<1>,5|C<3>}	H(CC[5]HH)	109.4835	0.071	2	109.4835	0.005	2	109.4034	0.368	13	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]N[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CH3)(H){1|H<1>,2|C<3>,2|O<1>}	H(CC[5]HH)	109.5017	0.017	3	109.5017	0.000	3	109.4034	0.368	13	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H){1|C<4>,2|C<3>}	H(CC[5]HH)	109.4610	0.008	2	109.4665	0.000	4	109.0001	53.078	15	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H){2|C<4>}	H(CC[5]HH)	109.4720	0.008	2	109.4665	0.000	4	109.0001	53.078	15	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)(H){2|C<4>}	H(CC[5]HH)	109.4810	0.086	2	109.4810	0.007	2	109.0001	53.078	15	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)(H){1|C<3>}	H(CC[5]HH)	107.1219	19.103	3	107.1219	364.917	3	109.0001	53.078	15	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C)2(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C)2(CH3)(H){2|C<4>}	H(CC[5]HH)	109.4673	0.015	3	109.4673	0.000	3	109.0001	53.078	15	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(H){2|C<4>}	H(CC[5]HH)	109.4683	0.086	3	109.4683	0.007	3	109.0001	53.078	15	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4637	0.020	3	109.4637	0.000	3	109.4935	0.049	42	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)(H){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4743	0.042	3	109.4743	0.002	3	109.4935	0.049	42	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]N)(N[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]N)(N[5]C[5]H)(CH3)(H){1|H<1>,1|O<1>}	H(CC[5]HH)	109.4638	0.030	6	109.4638	0.001	6	109.4935	0.049	42	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(CH3)(H){4|C<3>}	H(CC[5]HH)	109.8777	0.799	3	109.8777	0.638	3	109.4935	0.049	42	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4350	0.038	3	109.4350	0.001	3	109.4935	0.049	42	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H){1|H<1>,1|S<1>}	H(CC[5]HH)	109.4567	0.018	3	109.4600	0.000	6	109.4935	0.049	42	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H){1|H<1>,2|C<4>}	H(CC[5]HH)	109.4633	0.007	3	109.4600	0.000	6	109.4935	0.049	42	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)(H){1|C<4>,1|O<1>}	H(CC[5]HH)	109.4738	0.226	6	109.4738	0.051	6	109.4935	0.049	42	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4770	0.018	3	109.4657	0.000	12	109.4935	0.049	42	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4610	0.014	3	109.4657	0.000	12	109.4935	0.049	42	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H){2|C<4>}	H(CC[5]HH)	109.4720	0.025	3	109.4657	0.000	12	109.4935	0.049	42	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H){2|H<1>}	H(CC[5]HH)	109.4530	0.010	3	109.4657	0.000	12	109.4935	0.049	42	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(H)3	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,5]C[5]H)(H)3	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CH3)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(CC[5]HH)	109.4457	0.032	3	109.4457	0.001	3	109.4457	0.001	3	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[5]HH)	109.5462	0.783	6	109.5462	0.612	6	109.5091	0.237	14	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)(H){1|H<1>,1|O<1>,3|C<3>}	H(CC[5]HH)	109.4600	0.017	2	109.4600	0.000	2	109.5091	0.237	14	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)(H){1|O<1>,3|C<4>}	H(CC[5]HH)	109.4943	0.016	3	109.4943	0.000	3	109.5091	0.237	14	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]O)(CH3)(H){1|C<3>,1|H<1>,2|O<1>,2|O<2>}	H(CC[5]HH)	109.4823	0.027	3	109.4823	0.001	3	109.5091	0.237	14	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,6a]C[5]H)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,6a]C[5]H)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(H){1|N<2>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4650	0.059	2	109.4650	0.004	2	109.4650	0.004	2	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]C)(CH3)(H){2|O<2>,3|C<3>}	H(CC[5]HH)	109.4750	0.006	3	109.4750	0.000	3	109.4667	0.001	12	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[5,5]C[6])(C[5]N[5,5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[5,5]C[6])(C[5]N[5,5]O)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4507	0.027	3	109.4507	0.001	3	109.4667	0.001	12	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3)(H){2|C<3>,2|C<4>}	H(CC[5]HH)	109.4600	0.068	3	109.4600	0.005	3	109.4667	0.001	12	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CH3)(H){1|H<1>,1|N<3>,1|O<2>}	H(CC[5]HH)	109.4810	0.019	3	109.4810	0.000	3	109.4667	0.001	12	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]N[5]2H)(H)3	C[5](N[5]C[5]C)2(CH3)(H)	H(CC[5]HH)	C(C[5]N[5]2H)(H)3	C[5](N[5]C[5]C)2(CH3)(H){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4666	0.023	5	109.4666	0.001	5	109.4712	0.000	8	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]N[5]2H)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5]2H)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4790	0.010	3	109.4790	0.000	3	109.4712	0.000	8	109.4467	4.556	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:Cl-1:Cl-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]2O)(Cl)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCl2H)(OH)	H(CC[5]Cl2)	C(C[5]C[5,6a]2O)(Cl)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCl2H)(OH){1|H<1>,5|C<3>}	H(CC[5]Cl2)	107.8917	0.238	3	107.8917	0.057	3	107.8917	0.057	3	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Fe)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Fe)(CH3)(OH){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4870	0.013	3	109.4870	0.000	3	109.4984	0.001	5	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Ru)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Ru)(CH3)(OH){2|C<3>,2|H<1>}	H(CC[5]HH)	109.5155	0.039	2	109.5155	0.002	2	109.4984	0.001	5	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]2O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6a]2O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(OH){2|H<1>,4|C<3>}	H(CC[5]HH)	109.4764	0.022	8	109.4764	0.000	8	109.4764	0.000	8	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:N-2:	C-4:	C(C[5]C[5,6a]C[5]N)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(NN)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]N)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(NN){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4827	0.015	3	109.4827	0.000	3	109.4827	0.000	3	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)(OH){1|O<2>,3|C<3>}	H(CC[5]HH)	109.7588	0.439	5	109.7588	0.192	5	109.6025	0.573	33	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)(OH){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4803	0.031	3	109.4803	0.001	3	109.6025	0.573	33	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4670	0.018	4	109.8707	2.762	7	109.6025	0.573	33	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC){1|H<1>,1|S<4>,2|C<3>}	H(CC[5]HH)	110.4090	2.743	3	109.8707	2.762	7	109.6025	0.573	33	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OO)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OO){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4809	0.027	7	109.4809	0.001	7	109.6025	0.573	33	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CH3)(OO)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CH3)(OO){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4820	0.036	6	109.4820	0.001	6	109.6025	0.573	33	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CH3)(OH){1|H<1>,4|C<3>}	H(CC[5]HH)	109.4588	0.017	5	109.4588	0.000	5	109.6025	0.573	33	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]N[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6a]N[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4673	0.055	3	109.4673	0.003	3	109.4673	0.003	3	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OC){1|C<3>}	H(CC[5]HH)	109.4860	0.020	3	109.4860	0.000	3	109.4769	0.000	7	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OH){1|C<3>}	H(CC[5]HH)	109.4735	0.011	2	109.4735	0.000	2	109.4769	0.000	7	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(OH){1|C<3>}	H(CC[5]HH)	109.4665	0.008	2	109.4665	0.000	2	109.4769	0.000	7	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5]N[5]O)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OC){1|C<2>,1|C<3>}	H(CC[5]HH)	109.4670	0.039	3	109.4670	0.002	3	109.4730	0.001	9	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]N[5]O)(H)3	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OH){1|C<4>,1|O<1>}	H(CC[5]HH)	109.4820	0.046	3	109.4820	0.002	3	109.4730	0.001	9	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(H)3	C[5](C[5]C[5]O)(N[5]C[5]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]N[5]O)(H)3	C[5](C[5]C[5]O)(N[5]C[5]O)(CH3)(OH){1|H<1>,1|O<1>}	H(CC[5]HH)	109.4700	0.019	3	109.4700	0.000	3	109.4730	0.001	9	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6a]-3:N[5]-3:C-4:O-2:	C-4:	C(C[5]N[5,6a]N[5]O)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OC)	H(CC[5]HH)	C(C[5]N[5,6a]N[5]O)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OC){2|C<3>,2|O<1>}	H(CC[5]HH)	109.4660	0.000	1	109.4660	0.000	1	109.4660	0.000	1	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(H)3	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]N[5]O)(H)3	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)(OH){4|C<3>}	H(CC[5]HH)	109.4690	0.050	3	109.4690	0.003	3	109.4690	0.003	3	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:O-2:	C-4:	C(C[5]N[5]2O)(H)3	C[5](N[5]C[5]H)2(CH3)(OC)	H(CC[5]HH)	C(C[5]N[5]2O)(H)3	C[5](N[5]C[5]H)2(CH3)(OC){2|O<1>}	H(CC[5]HH)	109.4642	0.044	5	109.4642	0.002	5	109.4642	0.002	5	109.4687	0.336	80	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5a]N[5]C)(H)3	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[5]H)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,5a]N[5]C)(H)3	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[5]H)(CH3)(COO){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4630	0.008	2	109.4630	0.000	2	109.4630	0.000	2	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6]N[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,6]N[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CH3)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4850	0.032	3	109.4850	0.001	3	109.4850	0.001	3	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5,6]N)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)(NOO)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]N)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)(NOO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4477	0.053	3	109.4477	0.003	3	109.4477	0.003	3	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(CCO)	H(CC[5]HH)	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(CCO){2|H<1>,4|C<3>}	H(CC[5]HH)	108.2350	0.177	2	108.2350	0.031	2	108.2350	0.031	2	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)(CNO)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)(CNO){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4575	0.008	2	109.4575	0.000	2	109.4711	0.001	38	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCH){1|H<1>,4|C<3>}	H(CC[5]HH)	109.4587	0.019	3	109.4587	0.000	3	109.4711	0.001	38	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCO)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCO){1|O<1>,1|O<2>,3|C<3>}	H(CC[5]HH)	109.4567	0.030	3	109.4567	0.001	3	109.4711	0.001	38	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCC)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCC){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4804	0.018	5	109.4804	0.000	5	109.4711	0.001	38	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4780	0.000	1	109.4780	0.000	1	109.4711	0.001	38	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCO)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCO){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4712	0.033	9	109.4694	0.001	14	109.4711	0.001	38	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCO)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCO){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4662	0.040	5	109.4694	0.001	14	109.4711	0.001	38	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(COO){2|C<3>,2|H<1>}	H(CC[5]HH)	109.5265	0.025	2	109.5265	0.001	2	109.4711	0.001	38	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(COO){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4740	0.019	3	109.4740	0.000	3	109.4711	0.001	38	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CH3)(COO){1|H<1>,4|C<3>}	H(CC[5]HH)	109.4628	0.029	5	109.4628	0.001	5	109.4711	0.001	38	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]N)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4793	0.045	9	109.4738	0.002	14	109.4738	0.002	14	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]N)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP){3|C<3>}	H(CC[5]HH)	109.4638	0.038	5	109.4738	0.002	14	109.4738	0.002	14	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)(CCO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)(CCO){2|C<3>}	H(CC[5]HH)	109.4927	0.030	3	109.4927	0.001	3	109.4755	0.001	50	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)2(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)2(CH3)(CCH){2|C<4>}	H(CC[5]HH)	109.4940	0.030	3	109.4940	0.001	3	109.4755	0.001	50	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)2(CH3)(CNO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)2(CH3)(CNO){2|C<4>}	H(CC[5]HH)	109.4760	0.000	1	109.4760	0.000	1	109.4755	0.001	50	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(CCH){1|C<3>}	H(CC[5]HH)	109.4736	0.033	5	109.4736	0.001	5	109.4755	0.001	50	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4783	0.025	3	109.4692	0.002	26	109.4755	0.001	50	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<3>,2|C<4>}	H(CC[5]HH)	109.4757	0.059	9	109.4692	0.002	26	109.4755	0.001	50	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<4>,2|C<3>}	H(CC[5]HH)	109.4310	0.018	2	109.4692	0.002	26	109.4755	0.001	50	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<4>,2|H<1>}	H(CC[5]HH)	109.4740	0.024	9	109.4692	0.002	26	109.4755	0.001	50	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|H<1>,2|C<4>}	H(CC[5]HH)	109.4513	0.044	3	109.4692	0.002	26	109.4755	0.001	50	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]O[5]O)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]O[5]O)(CH3)(COO){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4410	0.031	3	109.4410	0.001	3	109.4755	0.001	50	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(CH3)(CCO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(CH3)(CCO){1|C<4>,2|C<3>}	H(CC[5]HH)	109.4797	0.021	3	109.4797	0.000	3	109.4755	0.001	50	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(COO){1|C<4>}	H(CC[5]HH)	109.5020	0.016	6	109.5020	0.000	6	109.4755	0.001	50	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO){1|C<3>}	H(CC[5]HH)	109.4830	0.015	3	109.4830	0.000	3	109.4830	0.000	3	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:P-3:	C-4:	C(C[5]C[5]2P)(H)3	C[5](C[5]C[5]C)2(CH3)(PIP)	H(CC[5]HH)	C(C[5]C[5]2P)(H)3	C[5](C[5]C[5]C)2(CH3)(PIP){2|C<4>}	H(CC[5]HH)	109.4767	1.340	6	109.4767	1.795	6	109.4767	1.795	6	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CH3)(CCH){2|C<3>}	H(CC[5]HH)	109.4783	0.021	3	109.4783	0.000	3	108.4827	6.349	17	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]O)(N[5]C[5]C)(CH3)(CNO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]O)(N[5]C[5]C)(CH3)(CNO){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4747	0.021	3	109.4747	0.000	3	108.4827	6.349	17	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]O)(N[5]C[5]H)(CH3)(CNO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]O)(N[5]C[5]H)(CH3)(CNO){1|C<3>,1|C<4>}	H(CC[5]HH)	109.0408	1.357	5	109.0408	1.842	5	108.4827	6.349	17	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)(CHH)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)(CHH){1|Ni<6>,2|C<4>}	H(CC[5]HH)	105.1154	4.551	3	105.1154	20.715	3	108.4827	6.349	17	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(CNO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(CNO){1|C<4>,1|O<1>}	H(CC[5]HH)	108.9320	2.311	3	108.9320	5.341	3	108.4827	6.349	17	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]O)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]O)(CH3)(COO){2|C<3>,2|C<4>}	H(CC[5]HH)	109.4863	0.034	3	109.4863	0.001	3	109.4610	0.001	19	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CH3)(COO){1|N<3>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4690	0.021	4	109.4690	0.000	4	109.4610	0.001	19	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CH3)(CNO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CH3)(CNO){1|C<4>,3|C<3>}	H(CC[5]HH)	109.4520	0.035	12	109.4520	0.001	12	109.4610	0.001	19	109.3489	0.821	157	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:Cl-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(Cl)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CClHH)	H(CC[5]ClH)	C(C[5]C[5,6a]2C)(Cl)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CClHH){2|H<1>,4|C<3>}	H(CC[5]ClH)	108.8750	0.030	2	108.8750	0.001	2	108.8750	0.001	2	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:Cl-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(Cl)(H)2	C[5](N[5]C[5,6a]H)2(CClHH)2	H(CC[5]ClH)	C(C[5]N[5]2C)(Cl)(H)2	C[5](N[5]C[5,6a]H)2(CClHH)2{2|C<3>}	H(CC[5]ClH)	109.3603	0.110	3	109.3603	0.012	3	109.3603	0.012	3	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]2C)(H)3	C[5](C[5,5]C[5,5]N[5])2(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]2C)(H)3	C[5](C[5,5]C[5,5]N[5])2(CH3)2{4|C<3>}	H(CC[5]HH)	109.4622	0.029	4	109.4622	0.001	4	109.4622	0.001	4	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]N[5])(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]N[5])(C[5]N[5]O)(CH3)2{1|P<3>,3|C<3>}	H(CC[5]HH)	109.4907	0.046	6	109.4907	0.002	6	109.4849	0.002	15	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5,5])(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5,5])(C[5]N[5]O)(CH3)2{1|C<4>,3|C<3>}	H(CC[5]HH)	109.4810	0.043	9	109.4810	0.002	9	109.4849	0.002	15	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C-4:	C(C[5]C[5,5a]2C)(H)3	C[5](C[5,5a]C[5,5a]N[5a,6])2(CH3)2	H(CC[5]HH)	C(C[5]C[5,5a]2C)(H)3	C[5](C[5,5a]C[5,5a]N[5a,6])2(CH3)2{2|B<4>,4|C<3>}	H(CC[5]HH)	111.8897	2.140	4	111.8897	4.581	4	111.8897	4.581	4	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,5a]C[5,6a]C)(H)3	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5a]C[5,6a]C)(H)3	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|S<2>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4737	0.027	8	109.4737	0.001	8	109.4737	0.001	8	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CH3)2{1|S<4>,3|C<3>}	H(CC[5]HH)	109.4753	0.042	4	109.4753	0.002	4	109.4676	0.002	30	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4721	0.031	13	109.4664	0.002	26	109.4676	0.002	30	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2{2|C<3>,3|H<1>}	H(CC[5]HH)	109.4608	0.057	13	109.4664	0.002	26	109.4676	0.002	30	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,5a]C[5a]C[5])(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,5a]C[5a]C[5])(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|S<4>,2|C<4>,4|C<3>}	H(CC[5]HH)	106.8567	3.626	3	108.4169	7.232	9	108.4169	7.232	9	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,5a]C[5a]C[5])(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,5a]C[5a]C[5])(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	H(CC[5]HH)	108.9017	3.168	3	108.4169	7.232	9	108.4169	7.232	9	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,5a]C[5a]C[5])(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,5a]C[5a]C[5])(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	H(CC[5]HH)	109.4923	0.068	3	108.4169	7.232	9	108.4169	7.232	9	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5a]N[5]C)(H)3	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5a]N[5]C)(H)3	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>,1|S<2>,2|C<4>}	H(CC[5]HH)	109.4620	0.050	5	109.4620	0.002	5	109.4911	0.003	9	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5a]N[5]C)(H)3	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5a]N[5]C)(H)3	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]O)(CH3)2{2|C<3>,2|C<4>}	H(CC[5]HH)	109.5275	0.036	4	109.5275	0.001	4	109.4911	0.003	9	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3){1|B<4>,1|H<1>,4|C<3>}	H(CC[5]HH)	109.4550	0.019	3	109.4550	0.000	3	109.4550	0.000	3	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4882	0.028	4	109.4819	0.001	16	109.4819	0.001	16	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|H<1>,3|C<3>}	H(CC[5]HH)	109.4814	0.031	10	109.4819	0.001	16	109.4819	0.001	16	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|O<1>,3|C<3>}	H(CC[5]HH)	109.4715	0.006	2	109.4819	0.001	16	109.4819	0.001	16	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]P[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]P[5])(CH3)2{1|H<1>,1|O<1>,5|C<3>}	H(CC[5]HH)	109.4617	0.010	3	109.4617	0.000	3	109.4617	0.000	3	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[6a]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[6a]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4680	0.000	1	109.4680	0.000	1	109.4646	0.000	12	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4767	0.034	4	109.4767	0.001	4	109.4646	0.000	12	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2{2|H<1>,4|C<3>}	H(CC[5]HH)	109.4571	0.013	7	109.4571	0.000	7	109.4646	0.000	12	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]O[6a])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]O[6a])(CH3)2{1|H<1>,4|C<3>}	H(CC[5]HH)	109.4534	0.023	5	109.4534	0.001	5	109.4722	0.154	290	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(CH3){2|H<1>,4|C<3>}	H(CC[5]HH)	109.4780	0.011	2	109.4780	0.000	2	109.4722	0.154	290	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CH3){2|H<1>,4|C<3>}	H(CC[5]HH)	109.4650	0.025	8	109.4650	0.001	8	109.4722	0.154	290	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CH3){2|H<1>,4|C<3>}	H(CC[5]HH)	109.4700	0.043	3	109.4700	0.002	3	109.4722	0.154	290	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|C<3>,2|H<1>,2|N<2>}	H(CC[5]HH)	109.4757	0.036	9	109.4725	0.168	266	109.4722	0.154	290	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	H(CC[5]HH)	109.4724	0.417	257	109.4725	0.168	266	109.4722	0.154	290	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]2C)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,5|C<3>}	H(CC[5]HH)	109.4797	0.030	6	109.4797	0.001	6	109.4722	0.154	290	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:Ge-4:C-4:	C-4:	C(C[5]C[5,6a]2Ge)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]2Ge)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(CH3){2|H<1>,4|C<3>}	H(CC[5]HH)	109.4793	0.061	6	109.4793	0.004	6	109.4793	0.004	6	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:Si-4:C-4:	C-4:	C(C[5]C[5,6a]2Si)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]2Si)(H)3	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(CH3){2|H<1>,4|C<3>}	H(CC[5]HH)	109.4600	0.038	2	109.4600	0.001	2	109.4600	0.001	2	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2{1|C<4>,1|H<1>,4|C<3>}	H(CC[5]HH)	109.4654	0.030	9	109.4654	0.001	9	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CH3){1|O<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4640	0.024	3	109.4640	0.001	3	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2{1|B<6>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4628	0.022	5	109.4631	0.002	21	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2{1|H<1>,3|C<3>}	H(CC[5]HH)	109.4632	0.047	16	109.4631	0.002	21	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)2{2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4725	0.022	8	109.4725	0.000	8	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CH3)2{1|H<1>,4|C<3>}	H(CC[5]HH)	109.4820	0.025	4	109.4820	0.001	4	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)2{2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.5131	1.025	21	109.5131	1.050	21	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4844	0.021	5	109.4807	0.000	7	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4715	0.016	2	109.4807	0.000	7	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.5037	0.299	327	109.4930	0.063	473	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|Cl<1>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4773	0.034	11	109.4930	0.063	473	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|H<1>,2|C<3>}	H(CC[5]HH)	109.4721	0.037	58	109.4930	0.063	473	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|Pd<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4615	0.055	32	109.4930	0.063	473	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	H(CC[5]HH)	109.4687	0.103	45	109.4930	0.063	473	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	108.9607	9.653	6	108.9607	93.187	6	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4648	0.062	17	109.4697	0.003	35	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4742	0.043	18	109.4697	0.003	35	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4840	0.024	2	109.4840	0.001	2	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CH3){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4837	0.035	6	109.4837	0.001	6	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4531	0.021	9	109.4518	0.000	12	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|H<1>,1|S<4>,2|C<3>}	H(CC[5]HH)	109.4477	0.030	3	109.4518	0.000	12	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4390	0.026	5	109.4390	0.001	5	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)2{1|H<1>,3|C<3>}	H(CC[5]HH)	109.4390	0.039	5	109.4390	0.002	5	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4873	0.023	3	109.4873	0.001	3	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4572	0.022	6	109.4572	0.000	6	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)(CH3){2|C<3>,2|H<1>}	H(CC[5]HH)	109.5150	0.013	2	109.5150	0.000	2	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(CH3){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4850	0.033	3	109.4850	0.001	3	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]CH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]CH)(CH3){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4848	0.020	5	109.4848	0.000	5	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)2{1|H<1>,2|C<3>}	H(CC[5]HH)	109.4718	0.025	4	109.4718	0.001	4	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{1|C<4>,3|C<3>}	H(CC[5]HH)	109.4716	0.040	83	109.4719	0.002	87	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{3|C<3>}	H(CC[5]HH)	109.4795	0.014	4	109.4719	0.002	87	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4855	0.036	2	109.4855	0.001	2	109.4818	0.713	729	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]P)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]P)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S)(CH3){1|H<1>,1|P<4>,2|C<3>}	H(CC[5]HH)	109.4620	0.017	2	109.4620	0.000	2	109.4831	0.001	7	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:P-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]P)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(PC[6a]2S)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]P)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(PC[6a]2S)(CH3){1|H<1>,1|P<4>,2|C<3>}	H(CC[5]HH)	109.4916	0.025	5	109.4916	0.001	5	109.4831	0.001	7	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,6a]C[5a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(CC[5]HH)	109.4688	0.033	5	109.4688	0.001	5	109.4688	0.001	5	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){2|Br<1>,1|H<1>,2|C<4>,4|C<3>}	H(CC[5]HH)	109.4430	0.043	3	109.4626	0.001	14	109.4626	0.001	14	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){2|C<4>,3|H<1>,4|C<3>}	H(CC[5]HH)	109.4640	0.020	9	109.4626	0.001	14	109.4626	0.001	14	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){3|H<1>,6|C<3>}	H(CC[5]HH)	109.4855	0.023	2	109.4626	0.001	14	109.4626	0.001	14	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)(CH3){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4626	0.017	5	109.4626	0.000	5	109.5338	0.806	113	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.5514	1.018	88	109.5434	0.930	98	109.5338	0.806	113	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{2|C<4>,3|C<3>}	H(CC[5]HH)	109.4738	0.039	10	109.5434	0.930	98	109.5338	0.806	113	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4751	0.035	10	109.4751	0.001	10	109.5338	0.806	113	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,6a]N[5a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5a]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]N[5a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5a]N[5]H)(CH3){2|H<1>,2|N<2>,5|C<3>}	H(CC[5]HH)	109.4675	0.004	2	109.4675	0.000	2	109.4675	0.000	2	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	H(CC[5]HH)	109.4685	0.014	23	109.4685	0.000	23	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]C)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]C)2(CH3)2{2|C<3>}	H(CC[5]HH)	109.4684	0.015	9	109.4684	0.000	9	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)2{1|O<2>,2|C<4>}	H(CC[5]HH)	109.4731	0.024	7	109.4731	0.001	7	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){1|H<1>,3|C<4>}	H(CC[5]HH)	109.4730	0.017	5	109.4715	0.001	13	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	H(CC[5]HH)	109.4706	0.040	8	109.4715	0.001	13	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6,6]O)2(CC[6a]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6,6]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	H(CC[5]HH)	109.4560	0.076	5	109.4560	0.006	5	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6,6]O)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6,6]O)2(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	109.4837	0.037	6	109.4837	0.001	6	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CH3)2{2|C<4>}	H(CC[5]HH)	109.4574	0.022	5	109.4574	0.000	5	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]O)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]O)2(CH3)2{2|C<3>}	H(CC[5]HH)	109.3233	2.029	3	109.3233	4.116	3	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]Br)(C[5]C[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]Br)(C[5]C[5]H)(CH3)2{1|C<3>,1|H<1>}	H(CC[5]HH)	109.4698	0.037	5	109.4698	0.001	5	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	108.8010	4.183	3	108.8010	17.494	3	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.5277	0.327	6	109.4983	0.069	9	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>}	H(CC[5]HH)	109.4397	0.056	3	109.4983	0.069	9	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	H(CC[5]HH)	109.5087	0.015	3	109.5055	0.001	6	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){3|H<1>}	H(CC[5]HH)	109.5023	0.032	3	109.5055	0.001	6	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)2{2|C<3>}	H(CC[5]HH)	109.4593	0.019	3	109.4593	0.000	3	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)2{2|C<3>}	H(CC[5]HH)	109.4600	0.025	3	109.4600	0.001	3	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]O[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)(C[5]O[5]C)(CH3)2{1|H<1>}	H(CC[5]HH)	109.4667	0.025	6	109.4667	0.001	6	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)2(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)2(CCHH)(CH3){1|O<1>,1|O<2>}	H(CC[5]HH)	109.4680	0.000	1	109.4680	0.000	1	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)2(CSmOO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C)2(CSmOO)(CH3){2|C<4>}	H(CC[5]HH)	109.4570	2.747	3	109.4570	7.546	3	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)(CH3){1|C<4>}	H(CC[5]HH)	109.5277	0.033	3	109.5277	0.001	3	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4711	0.035	8	109.4657	0.001	28	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<3>,1|N<2>}	H(CC[5]HH)	109.4452	0.045	5	109.4657	0.001	28	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4712	0.037	5	109.4657	0.001	28	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{3|H<1>}	H(CC[5]HH)	109.4689	0.035	10	109.4657	0.001	28	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4490	0.022	3	109.4825	0.001	24	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4990	0.034	8	109.4825	0.001	24	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4740	0.048	3	109.4825	0.001	24	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|H<1>,1|N<3>}	H(CC[5]HH)	109.4820	0.032	10	109.4825	0.001	24	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)2(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)2(CHHO)(CH3){2|C<4>,2|H<1>}	H(CC[5]HH)	109.4380	0.028	3	109.4380	0.001	3	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)2(CN[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O)2(CN[5]HH)(CH3){2|C<4>}	H(CC[5]HH)	110.1847	2.323	3	110.1847	5.397	3	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O[5])(C[5]C[5,5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]O[5])(C[5]C[5,5]O)(CH3)2{2|C<4>,2|N<3>}	H(CC[5]HH)	109.4693	0.010	4	109.4693	0.000	4	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5a]C[5])2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5a]C[5])2(CH3)2{2|C<3>,2|H<1>,2|O<2>}	H(CC[5]HH)	109.4707	0.036	10	109.4707	0.001	10	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)2{1|N<2>,3|C<3>}	H(CC[5]HH)	109.4714	0.021	5	109.4714	0.000	5	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])2(CH3)2{2|H<1>,4|C<3>}	H(CC[5]HH)	109.4853	0.025	4	109.4853	0.001	4	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3){3|C<3>}	H(CC[5]HH)	109.4523	0.039	8	109.4523	0.002	8	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CH3)2{3|C<3>}	H(CC[5]HH)	109.4646	0.030	5	109.4646	0.001	5	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CH3)2{2|C<3>}	H(CC[5]HH)	109.4510	0.008	2	109.4510	0.000	2	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(CH3){1|C<3>}	H(CC[5]HH)	109.4651	0.066	8	109.4651	0.004	8	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]C)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]C)2(CH3)2	H(CC[5]HH)	109.4673	0.010	6	109.4645	0.000	12	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]C)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]C)2(CH3)2{1|Pd<4>}	H(CC[5]HH)	109.4617	0.021	6	109.4645	0.000	12	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]N)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]N)(C[5]N[5]O)(CH3)2{1|H<1>}	H(CC[5]HH)	109.4676	0.033	5	109.4676	0.001	5	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]O)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]O)2(CH3)2{1|C<4>,1|H<1>}	H(CC[5]HH)	109.4300	0.053	5	109.4300	0.003	5	109.4691	0.306	239	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:Ga-4:C-4:	C-4:	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]C)2(GaCl2Rh)(CH3)	H(CC[5]HH)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]C)2(GaCl2Rh)(CH3){2|C<4>}	H(CC[5]HH)	109.4500	0.083	3	109.4500	0.007	3	109.4514	0.003	7	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:Ga-4:C-4:	C-4:	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]C)2(GaRu3)(CH3)	H(CC[5]HH)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]C)2(GaRu3)(CH3){2|C<4>}	H(CC[5]HH)	109.4525	0.046	4	109.4525	0.002	4	109.4514	0.003	7	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:In-4:C-4:	C-4:	C(C[5]C[5]2In)(H)3	C[5](C[5]C[5]C)2(InCl2Rh)(CH3)	H(CC[5]HH)	C(C[5]C[5]2In)(H)3	C[5](C[5]C[5]C)2(InCl2Rh)(CH3){2|C<4>}	H(CC[5]HH)	109.4743	0.095	6	109.4743	0.009	6	109.4743	0.009	6	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:P-4:C-4:	C-4:	C(C[5]C[5]2P)(H)3	C[5](C[5]C[5]C)2(PCOW)(CH3)	H(CC[5]HH)	C(C[5]C[5]2P)(H)3	C[5](C[5]C[5]C)2(PCOW)(CH3){2|C<4>}	H(CC[5]HH)	109.5043	0.042	6	109.5043	0.002	6	109.4973	0.002	9	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:P-4:C-4:	C-4:	C(C[5]C[5]2P)(H)3	C[5](C[5]C[5]C)2(PHOW)(CH3)	H(CC[5]HH)	C(C[5]C[5]2P)(H)3	C[5](C[5]C[5]C)2(PHOW)(CH3){2|C<4>}	H(CC[5]HH)	109.4833	0.041	3	109.4833	0.002	3	109.4973	0.002	9	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(CC[5]HH)	109.4483	0.046	3	109.4483	0.002	3	109.4483	0.002	3	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)2{2|C<3>}	H(CC[5]HH)	109.4717	0.054	13	109.4717	0.003	13	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2{1|H<1>,2|C<4>}	H(CC[5]HH)	109.5177	0.729	60	109.5146	0.490	65	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2{1|S<2>,2|C<4>}	H(CC[5]HH)	109.4778	0.018	5	109.5146	0.490	65	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]C)(N[5]C[5]S)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]C)(N[5]C[5]S)(CH3)2{1|C<4>,3|H<1>}	H(CC[5]HH)	109.4706	0.020	5	109.4706	0.000	5	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]C[6])(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]C[6])(N[5]C[5]O)(CH3)2{1|S<2>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.4773	0.376	6	109.4773	0.141	6	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]H)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]H)(N[5]C[5]C)(CH3)2{1|H<1>,1|O<1>}	H(CC[5]HH)	109.4922	0.052	8	109.4922	0.003	8	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2{1|C<2>,2|C<4>}	H(CC[5]HH)	109.4757	0.034	9	109.6105	1.134	70	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.6468	1.181	55	109.6105	1.134	70	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2{3|C<4>}	H(CC[5]HH)	109.4803	0.722	6	109.6105	1.134	70	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]O)(N[5]N[5]S)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]O)(N[5]N[5]S)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4617	0.042	4	109.4617	0.002	4	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]S)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]S)(N[5]C[5]O)(CH3)2{3|C<4>}	H(CC[5]HH)	109.4673	0.029	4	109.4673	0.001	4	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4684	0.032	10	109.4684	0.001	10	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5,5]O)(N[5]C[5,5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5,5]O)(N[5]C[5,5]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4805	0.038	6	109.4805	0.001	6	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5,5]O)(N[5]C[5,5]S)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5,5]O)(N[5]C[5,5]S)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4635	0.008	2	109.4635	0.000	2	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]2)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]2)(N[5]C[5]O)(CH3)2{1|C<3>,3|C<4>}	H(CC[5]HH)	110.8902	1.352	6	110.8902	1.828	6	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>}	H(CC[5]HH)	109.4888	0.041	6	109.4804	0.030	12	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4720	0.255	6	109.4804	0.030	12	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4778	0.023	5	109.9443	1.033	23	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	H(CC[5]HH)	110.5517	1.341	10	109.9443	1.033	23	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2{1|H<1>,1|S<1>}	H(CC[5]HH)	109.4765	0.032	8	109.9443	1.033	23	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3){1|C<3>,2|H<1>}	H(CC[5]HH)	109.4903	0.485	3	109.4719	0.044	13	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3){1|Co<6>,1|C<3>}	H(CC[5]HH)	109.4743	0.089	6	109.4719	0.044	13	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3){1|Mn<6>,1|C<3>}	H(CC[5]HH)	109.4545	0.077	4	109.4719	0.044	13	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(CH3){1|C<4>,1|O<1>}	H(CC[5]HH)	109.4473	0.008	3	109.4473	0.000	3	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHN)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHN)(CH3){1|H<1>,1|O<1>}	H(CC[5]HH)	109.4890	0.000	1	109.4890	0.000	1	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HN)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HN)(CH3){1|H<1>,1|O<1>}	H(CC[5]HH)	109.4560	0.027	2	109.4560	0.001	2	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4761	0.015	17	109.4771	0.000	36	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2{1|C<4>,1|N<2>}	H(CC[5]HH)	109.4830	0.020	4	109.4771	0.000	36	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2{1|N<2>,1|O<1>}	H(CC[5]HH)	109.4767	0.022	15	109.4771	0.000	36	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]Se)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]Se)(N[5]C[5]C)(CH3)2{1|O<1>,2|C<4>}	H(CC[5]HH)	109.4470	0.047	4	109.4470	0.002	4	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]C)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]C)(N[5]C[5]C)(CH3)2{1|O<1>}	H(CC[5]HH)	109.4866	0.043	10	109.4866	0.002	10	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(CH3){2|C<4>}	H(CC[5]HH)	109.4520	0.017	3	109.4520	0.000	3	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[5a]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[5a]HO)(CH3){2|C<4>}	H(CC[5]HH)	109.4463	0.023	3	109.4463	0.001	3	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.0400	0.247	3	109.3871	0.038	16	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3){2|C<4>}	H(CC[5]HH)	109.4672	0.026	13	109.3871	0.038	16	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)2{2|H<1>}	H(CC[5]HH)	109.4807	0.028	3	109.4807	0.001	3	109.5657	0.488	328	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:N[5]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5a]C[5]N[5])(H)3	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5a]C[5]N[5])(H)3	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(CH3){1|O<1>,3|H<1>,5|C<3>}	H(CC[5]HH)	109.5000	0.014	3	109.5000	0.000	3	109.5000	0.000	3	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5,6]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5,5,6]N[5]C)(H)3	C[5](N[5,5,6]C[5,5,6]2)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]N[5,5,6]N[5]C)(H)3	C[5](N[5,5,6]C[5,5,6]2)(N[5]C[5]C)(CH3)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4930	0.032	6	109.4930	0.001	6	109.4930	0.001	6	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:C-4:	C-4:	C(C[5]N[5,5]C[6a]C[5])(H)3	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]N[5,5]C[6a]C[5])(H)3	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4613	0.038	3	109.4613	0.001	3	109.4613	0.001	3	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5,5]N[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5,5]N[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CH3)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4758	0.017	5	109.4758	0.000	5	109.4758	0.000	5	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CHHO)(CH3){1|C<3>,1|O<1>,2|C<4>}	H(CC[5]HH)	109.4233	0.012	3	109.4233	0.000	3	109.4233	0.000	3	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5a]-3:C[5]-4:C-4:	C-4:	C(C[5]N[5,6]C[5a]C[5])(H)3	C[5](N[5,6]C[5,6]C[6])(C[5a]N[5a]2)(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]N[5,6]C[5a]C[5])(H)3	C[5](N[5,6]C[5,6]C[6])(C[5a]N[5a]2)(C[5]C[5]HH)(CH3){1|N<3>,3|C<3>,5|H<1>}	H(CC[5]HH)	109.5760	1.257	3	109.5760	1.580	3	109.5760	1.580	3	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]N[5,6a]C[5]C)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	H(CC[5]HH)	C(C[5]N[5,6a]C[5]C)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{1|N<2>,1|O<1>,4|C<3>}	H(CC[5]HH)	109.4718	0.003	4	109.4718	0.000	4	109.4718	0.000	4	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5]Br)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5]Br)(C[5]N[5]O)(CH3)2{1|Br<1>,1|O<1>}	H(CC[5]HH)	109.4828	0.055	9	109.4828	0.003	9	109.4792	0.002	20	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)2{2|C<4>,3|C<3>}	H(CC[5]HH)	109.4863	0.042	6	109.4863	0.002	6	109.4792	0.002	20	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]O[5])(C[5]C[5]N)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]O[5])(C[5]C[5]N)(CH3)2{1|H<1>,3|C<3>}	H(CC[5]HH)	109.4640	0.021	5	109.4640	0.000	5	109.4792	0.002	20	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[6a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(CH3){2|H<1>,4|C<3>}	H(CC[5]HH)	109.4533	0.017	3	109.4533	0.000	3	109.4533	0.000	3	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5,6]C)2(CH3)2	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5,6]C)2(CH3)2{2|C<3>}	H(CC[5]HH)	109.4665	0.012	4	109.4665	0.000	4	109.6237	1.458	56	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5,6a]C)2(CH3)2	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5,6a]C)2(CH3)2{2|C<3>}	H(CC[5]HH)	109.5572	0.168	4	109.5572	0.028	4	109.6237	1.458	56	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3)	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HH)	109.4557	0.030	3	109.4530	0.001	10	109.6237	1.458	56	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3)	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4865	0.033	2	109.4530	0.001	10	109.6237	1.458	56	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3)	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3){1|H<1>,1|O<1>}	H(CC[5]HH)	109.4463	0.026	3	109.4530	0.001	10	109.6237	1.458	56	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3)	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3){1|O<1>,2|H<1>}	H(CC[5]HH)	109.4255	0.029	2	109.4530	0.001	10	109.6237	1.458	56	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C)(N[5]C[5]O)(CH3)2{1|Se<2>,2|C<4>}	H(CC[5]HH)	109.4538	0.045	5	109.4538	0.002	5	109.6237	1.458	56	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C)2(CH3)2	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C)2(CH3)2{1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4633	0.038	4	109.4633	0.001	4	109.6237	1.458	56	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C[6])(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]C[6])(N[5]C[5]C)(CH3)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4575	0.057	6	109.4575	0.003	6	109.6237	1.458	56	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]Ni)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]Ni)(N[5]C[5]O)(CH3)2{1|C<4>,2|C<3>}	H(CC[5]HH)	109.2810	2.159	6	110.1588	6.871	12	109.6237	1.458	56	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]Ni)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]Ni)(N[5]C[5]O)(CH3)2{3|C<3>}	H(CC[5]HH)	111.0367	2.934	6	110.1588	6.871	12	109.6237	1.458	56	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CCHH)(CH3){5|C<3>}	H(CC[5]HH)	109.6070	0.022	3	109.6070	0.000	3	109.6237	1.458	56	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[3]HH)(CH3)	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[3]HH)(CH3){5|C<3>}	H(CC[5]HH)	109.4695	0.008	2	109.4695	0.000	2	109.6237	1.458	56	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[5]HH)(CH3){5|C<3>}	H(CC[5]HH)	109.4615	0.025	6	109.4615	0.001	6	109.6237	1.458	56	109.4982	0.544	1984	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:2:4:	4:	C[5]-4:Br-1:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(Br)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CBrHH)	H(CC[5]BrH)	C(C[5]C[6a]C[5]O[5])(Br)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CBrHH){1|O<1>,2|C<3>,4|H<1>}	H(CC[5]BrH)	108.6975	0.060	2	108.6975	0.004	2	108.6975	0.004	2	109.4684	0.244	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3){1|C<3>}	H(CC[5]HH)	109.4693	0.051	9	109.4693	0.003	9	109.4693	0.003	9	109.4684	0.244	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	H(CC[5]HH)	109.4653	0.065	3	109.4653	0.004	3	109.5649	0.492	28	109.4684	0.244	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(CC[5a]HN)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(CC[5a]HN)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	H(CC[5]HH)	109.4920	0.023	2	109.4920	0.001	2	109.5649	0.492	28	109.4684	0.244	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|C<4>,1|O<1>}	H(CC[5]HH)	109.5123	0.027	3	109.6254	0.819	17	109.5649	0.492	28	109.4684	0.244	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	H(CC[5]HH)	109.6496	1.002	14	109.6254	0.819	17	109.5649	0.492	28	109.4684	0.244	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4550	0.047	2	109.4550	0.002	2	109.5649	0.492	28	109.4684	0.244	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(CC[6a]2H)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(CC[6a]2H)(O[5]C[5])(CH3){1|C<3>}	H(CC[5]HH)	109.4690	0.000	1	109.4690	0.000	1	109.5649	0.492	28	109.4684	0.244	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CH3){1|C<3>}	H(CC[5]HH)	109.4750	0.038	3	109.4750	0.001	3	109.5649	0.492	28	109.4684	0.244	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C-4:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]O)(CC[6a]CH)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]O)(CC[6a]CH)(S[5]C[5])(CH3){1|C<3>,1|S<1>}	H(CC[5]HH)	109.4917	0.016	3	109.4917	0.000	3	109.4917	0.000	3	109.4684	0.244	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5a]C[5]O[5])(H)3	C[5](C[5a]C[5a]S[5a])(C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5a]C[5]O[5])(H)3	C[5](C[5a]C[5a]S[5a])(C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|S<1>,2|H<1>,4|C<3>}	H(CC[5]HH)	109.4805	0.011	2	109.4805	0.000	2	109.4805	0.000	2	109.4684	0.244	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]N[6a])(C[5]O[5]HH)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]N[6a])(C[5]O[5]HH)(N[5]C[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4873	0.016	3	109.4873	0.000	3	109.4873	0.000	3	109.4684	0.244	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,4|H<1>}	H(CC[5]HH)	109.4885	0.028	2	109.4885	0.001	2	109.4779	0.001	15	109.4684	0.244	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,4|H<1>}	H(CC[5]HH)	109.4477	0.024	3	109.4477	0.001	3	109.4779	0.001	15	109.4684	0.244	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,3|C<3>,3|H<1>}	H(CC[5]HH)	109.4705	0.010	4	109.4732	0.000	6	109.4779	0.001	15	109.4684	0.244	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3){2|H<1>,4|C<3>}	H(CC[5]HH)	109.4785	0.005	2	109.4732	0.000	6	109.4779	0.001	15	109.4684	0.244	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(CH3){2|H<1>,3|C<3>}	H(CC[5]HH)	109.4850	0.000	1	109.4850	0.000	1	109.4779	0.001	15	109.4684	0.244	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(CH3){1|S<1>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.5080	0.059	3	109.5080	0.003	3	109.4779	0.001	15	109.4684	0.244	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]N[5]O[5])(H)3	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]O[5])(H)3	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]N[5])(CH3){1|O<1>,3|C<3>,3|C<4>}	H(CC[5]HH)	109.4780	0.020	2	109.4780	0.000	2	109.4780	0.000	2	109.4684	0.244	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:2:4:	4:	C[5]-4:H-1:H-1:I-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(H)2(I)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]P[5])(CHHI)	H(CC[5]HI)	C(C[5]C[6a]C[5]O[5])(H)2(I)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]P[5])(CHHI){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(CC[5]HI)	108.7295	0.052	2	108.7295	0.003	2	108.7295	0.003	2	109.4684	0.244	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:Br-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(Br)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(CBrHH)	H(CC[5]BrH)	C(C[5]C[6a]C[5]N[5])(Br)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(CBrHH){2|C<3>,6|H<1>}	H(CC[5]BrH)	109.0150	0.006	2	109.0150	0.000	2	108.9650	0.004	4	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:Br-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(Br)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(CBrHH)	H(CC[5]BrH)	C(C[5]C[6a]C[5]N[5])(Br)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(CBrHH){2|C<3>,6|H<1>}	H(CC[5]BrH)	108.9150	0.024	2	108.9150	0.001	2	108.9650	0.004	4	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:Cl-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(Cl)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CClHH)	H(CC[5]ClH)	C(C[5]C[6a]C[5]2)(Cl)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CClHH){2|C<3>,6|H<1>}	H(CC[5]ClH)	108.8130	0.373	2	108.8130	0.139	2	108.8130	0.139	2	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5]-4:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5a]C[6a]C[5])(H)3	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]2)(CH3)	H(CC[5]HH)	C(C[5]C[5,5a]C[6a]C[5])(H)3	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]2)(CH3){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	H(CC[5]HH)	109.4650	0.016	2	109.4650	0.000	2	109.4650	0.000	2	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]O)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]O)(CH3){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4487	0.013	3	109.4487	0.000	3	109.4487	0.000	3	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]H)(CH3){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	H(CC[5]HH)	109.4870	0.037	3	109.4870	0.001	3	109.4870	0.001	3	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[6a]C[6a]2)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,6|C<3>}	H(CC[5]HH)	109.4557	0.028	3	109.4557	0.001	3	109.4557	0.001	3	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HH)(C[5]N[5,5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HH)(C[5]N[5,5]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4745	0.039	2	109.4745	0.002	2	109.4677	0.002	29	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|N<3>,3|C<3>,4|H<1>}	H(CC[5]HH)	109.4713	0.076	3	109.4713	0.006	3	109.4677	0.002	29	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(CC[5]HH)	109.4733	0.046	3	109.4733	0.002	3	109.4677	0.002	29	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,2|S<2>}	H(CC[5]HH)	109.4367	0.016	3	109.4647	0.002	15	109.4677	0.002	29	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|H<1>,1|O<1>,2|S<2>,3|C<3>}	H(CC[5]HH)	109.4900	0.090	3	109.4647	0.002	15	109.4677	0.002	29	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4658	0.018	6	109.4647	0.002	15	109.4677	0.002	29	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4653	0.028	3	109.4647	0.002	15	109.4677	0.002	29	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>,5|C<3>}	H(CC[5]HH)	109.4682	0.027	6	109.4682	0.001	6	109.4677	0.002	29	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4670	0.016	2	109.4670	0.000	2	109.4845	0.001	34	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)(CH3){2|C<4>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.5430	0.072	3	109.5430	0.005	3	109.4845	0.001	34	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4807	0.033	3	109.4785	0.000	20	109.4845	0.001	34	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4803	0.026	3	109.4785	0.000	20	109.4845	0.001	34	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3){1|O<1>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4776	0.021	14	109.4785	0.000	20	109.4845	0.001	34	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]C)(CH3){1|O<2>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4807	0.014	3	109.4807	0.000	3	109.4845	0.001	34	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(CH3){2|H<1>,4|C<3>}	H(CC[5]HH)	109.4687	0.030	3	109.4687	0.001	3	109.4845	0.001	34	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(CH3){1|S<4>,2|C<3>,4|H<1>}	H(CC[5]HH)	109.4970	0.025	3	109.4970	0.001	3	109.4845	0.001	34	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(CH3){1|O<2>,3|C<3>,3|H<1>}	H(CC[5]HH)	109.4725	0.006	4	109.4725	0.000	4	109.4704	0.001	34	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(N[5]C[5]S)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(N[5]C[5]S)(CH3){1|O<2>,2|H<1>,4|C<3>}	H(CC[5]HH)	109.4720	0.013	2	109.4720	0.000	2	109.4704	0.001	34	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3){1|C<4>,3|C<3>,4|H<1>}	H(CC[5]HH)	109.4680	0.000	1	109.4617	0.000	8	109.4704	0.001	34	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3){2|C<3>,6|H<1>}	H(CC[5]HH)	109.4609	0.016	7	109.4617	0.000	8	109.4704	0.001	34	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(CH3){1|C<4>,3|C<3>,4|H<1>}	H(CC[5]HH)	109.4632	0.039	9	109.4632	0.002	9	109.4704	0.001	34	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CH3){2|H<1>,3|C<3>}	H(CC[5]HH)	109.5037	0.022	3	109.5037	0.000	3	109.4704	0.001	34	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(CC[5]HH)	109.4736	0.022	5	109.4736	0.000	5	109.4704	0.001	34	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]S[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]S[5]H)(CH3){2|C<3>,2|H<1>,2|O<1>}	H(CC[5]HH)	109.4730	0.040	3	109.4730	0.002	3	109.4704	0.001	34	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:N[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[6a]N[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]HH)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[6a]N[5]2)(H)3	C[5](C[6a]C[6a]2)(N[5]C[5]HH)(N[5]C[5]C)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4815	0.019	2	109.4815	0.000	2	109.4815	0.000	2	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(CC[6a]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(CC[6a]C)(CH3){1|O<1>,2|C<3>}	H(CC[5]HH)	109.4737	0.045	3	109.4737	0.002	3	109.4737	0.002	3	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:I-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)2(I)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CHHI)	H(CC[5]HI)	C(C[5]C[6a]C[5]N[5])(H)2(I)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(CHHI){2|H<1>,3|C<3>}	H(CC[5]HI)	108.7830	0.018	2	108.7830	0.000	2	108.9082	0.022	4	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:3:4:	4:	C[5]-4:H-1:H-1:I-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)2(I)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(CHHI)	H(CC[5]HI)	C(C[5]C[6a]C[5]N[5])(H)2(I)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(CHHI){1|O<1>,2|H<1>,3|C<3>}	H(CC[5]HI)	109.0335	0.053	2	109.0335	0.003	2	108.9082	0.022	4	109.4279	0.027	123	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:Br-1:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(Br)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CBrHH)(H)	H(CC[5]BrH)	C(C[5]N[5,6]C[5]H)(Br)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CBrHH)(H){1|C<4>,2|H<1>,4|C<3>}	H(CC[5]BrH)	110.1635	0.008	2	110.1635	0.000	2	110.1635	0.000	2	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	H(CC[5]HH)	109.4630	0.019	3	109.4630	0.000	3	109.4578	0.000	6	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4527	0.014	3	109.4527	0.000	3	109.4578	0.000	6	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5a]C[5]H)(H)3	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5a]C[5]H)(H)3	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	H(CC[5]HH)	109.4475	0.049	2	109.4475	0.002	2	109.4475	0.002	2	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]2H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]2H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]2H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]2H)(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	H(CC[5]HH)	109.5000	0.024	3	109.5000	0.001	3	109.5000	0.001	3	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(CC[5]HH)	109.4493	0.072	3	109.4771	0.003	8	109.4607	0.002	24	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(CC[5]HH)	109.4590	0.004	2	109.4771	0.003	8	109.4607	0.002	24	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){2|H<1>,4|C<4>}	H(CC[5]HH)	109.5170	0.035	3	109.4771	0.003	8	109.4607	0.002	24	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4413	0.056	3	109.4413	0.003	3	109.4607	0.002	24	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4313	0.017	3	109.4589	0.001	10	109.4607	0.002	24	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HH)	109.4485	0.005	2	109.4589	0.001	10	109.4607	0.002	24	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|O<1>,2|C<3>}	H(CC[5]HH)	109.4796	0.030	5	109.4589	0.001	10	109.4607	0.002	24	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	H(CC[5]HH)	109.4423	0.031	3	109.4423	0.001	3	109.4607	0.002	24	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.5045	0.006	4	109.5045	0.000	4	109.4920	0.001	7	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	H(CC[5]HH)	109.4753	0.030	3	109.4753	0.001	3	109.4920	0.001	7	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	H(CC[5]HH)	109.4680	0.057	4	109.4680	0.003	4	109.4655	0.002	8	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4630	0.031	4	109.4630	0.001	4	109.4655	0.002	8	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[5]HH)	109.4647	0.018	3	109.4647	0.000	3	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]HH)(CH3)(H){3|C<3>}	H(CC[5]HH)	109.4703	0.015	3	109.4703	0.000	3	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(CH3)(H){3|C<3>}	H(CC[5]HH)	109.4848	0.060	5	109.4848	0.004	5	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]H)(CH3)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(CC[5]HH)	109.5065	0.029	2	109.5065	0.001	2	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4720	0.025	3	108.3857	28.297	8	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	106.5899	9.555	3	108.3857	28.297	8	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(H){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4500	0.018	2	108.3857	28.297	8	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	H(CC[5]HH)	109.4880	0.027	3	109.4822	0.004	33	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>}	H(CC[5]HH)	109.4746	0.074	21	109.4822	0.004	33	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|Cl<1>,1|N<3>,2|C<3>}	H(CC[5]HH)	109.4977	0.029	3	109.4822	0.004	33	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4813	0.029	3	109.4822	0.004	33	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.5150	0.029	3	109.4822	0.004	33	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]PdC)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]PdC)(CH3)(H){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4574	0.058	5	109.4574	0.003	5	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru2)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ru2)(CH3)(H){1|H<1>,1|P<5>,2|C<3>}	H(CC[5]HH)	109.4973	0.031	3	109.4973	0.001	3	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)(H){1|N<2>,2|H<1>,4|C<3>}	H(CC[5]HH)	109.4850	0.011	3	109.4850	0.000	3	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,4|C<3>}	H(CC[5]HH)	109.4757	0.020	3	109.4757	0.000	3	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CH3)(H){3|C<3>}	H(CC[5]HH)	109.4812	0.034	5	109.4812	0.001	5	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4601	0.026	8	109.4559	0.001	10	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)(H){3|C<3>}	H(CC[5]HH)	109.4390	0.066	2	109.4559	0.001	10	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]HH)(CH3)(H){1|Rh<3>,1|H<1>,3|C<3>}	H(CC[5]HH)	109.4590	0.030	3	109.4590	0.001	3	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4873	0.016	3	109.4873	0.000	3	109.3787	2.351	89	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:O-1:	C-4:	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]RuC)(CH3)(O)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]RuC)(CH3)(O){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4920	0.045	2	109.4920	0.002	2	109.4920	0.002	2	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]N[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4595	0.011	2	109.4640	0.001	15	109.4645	0.000	17	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]N[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){1|H<1>,4|C<3>}	H(CC[5]HH)	109.4686	0.020	5	109.4640	0.001	15	109.4645	0.000	17	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]N[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){2|Cl<1>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4594	0.027	5	109.4640	0.001	15	109.4645	0.000	17	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]N[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){2|H<1>,3|C<3>}	H(CC[5]HH)	109.4670	0.035	3	109.4640	0.001	15	109.4645	0.000	17	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]N[5]H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(CH3)(H){2|C<3>,3|H<1>}	H(CC[5]HH)	109.4680	0.013	2	109.4680	0.000	2	109.4645	0.000	17	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(CC[5]HH)	111.3213	0.964	3	110.7647	1.567	6	110.7647	1.567	6	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(CC[5]HH)	110.2080	1.434	3	110.7647	1.567	6	110.7647	1.567	6	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]C)(C[5]N[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]C)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>}	H(CC[5]HH)	109.4927	0.030	3	109.4927	0.001	3	110.0809	2.104	64	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]O)(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]O)(C[5]C[5]CH)(CH3)(H){1|H<1>,1|N<2>,2|C<3>}	H(CC[5]HH)	107.9933	4.701	3	107.9933	22.102	3	110.0809	2.104	64	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CH3)(H){2|C<4>}	H(CC[5]HH)	109.5152	0.044	5	109.5152	0.002	5	110.0809	2.104	64	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]C)(C[5]N[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]C)(C[5]N[5]HH)(CH3)(H){1|S<4>,2|C<4>}	H(CC[5]HH)	109.4523	0.024	3	109.4523	0.001	3	110.0809	2.104	64	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)(H){4|C<3>}	H(CC[5]HH)	109.4613	0.024	3	109.4613	0.001	3	110.0809	2.104	64	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,3|C<3>}	H(CC[5]HH)	110.4956	1.262	35	110.4671	1.577	36	110.0809	2.104	64	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	H(CC[5]HH)	109.4680	0.000	1	110.4671	1.577	36	110.0809	2.104	64	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	H(CC[5]HH)	110.7093	1.045	6	110.7093	1.093	6	110.0809	2.104	64	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4664	0.035	5	109.4664	0.001	5	110.0809	2.104	64	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(H)3	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,5]C[5]H)(H)3	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4827	0.049	3	109.4827	0.002	3	109.4762	0.001	18	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,6]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,5]C[5]H)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,6]HO)(CH3)(H){2|H<1>,2|S<2>,3|C<4>}	H(CC[5]HH)	109.4844	0.030	5	109.4844	0.001	5	109.4762	0.001	18	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,5]C[5]H)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<2>,4|H<1>}	H(CC[5]HH)	109.4813	0.014	3	109.4813	0.000	3	109.4762	0.001	18	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,5]C[5]H)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4750	0.052	2	109.4750	0.003	2	109.4762	0.001	18	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(H)3	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,5]C[5]H)(H)3	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(CH3)(H){1|O<1>,4|C<3>}	H(CC[5]HH)	109.4450	0.004	2	109.4450	0.000	2	109.4762	0.001	18	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(H)3	C[5](N[5,5]C[5,5]S[5])(C[5]O[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,5]C[5]H)(H)3	C[5](N[5,5]C[5,5]S[5])(C[5]O[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<1>}	H(CC[5]HH)	109.4723	0.036	3	109.4723	0.001	3	109.4762	0.001	18	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5a]C[5]H)(H)3	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,5a]C[5]H)(H)3	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4607	0.028	3	109.4572	0.001	5	109.4572	0.001	5	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5a]C[5]H)(H)3	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,5a]C[5]H)(H)3	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|Br<1>,1|O<2>,3|C<3>}	H(CC[5]HH)	109.4520	0.057	2	109.4572	0.001	5	109.4572	0.001	5	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]N[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]N[5]HH)(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4310	0.006	2	109.4310	0.000	2	110.6589	5.572	11	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]HH)(CH3)(H){2|C<3>,2|O<1>,3|H<1>}	H(CC[5]HH)	111.6380	1.571	3	111.6380	2.467	3	110.6589	5.572	11	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4760	0.025	3	109.4760	0.001	3	110.6589	5.572	11	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[5]HH)	111.6813	4.334	3	111.6813	18.782	3	110.6589	5.572	11	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6a]C[5]H)(H)3	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,6a]C[5]H)(H)3	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	H(CC[5]HH)	109.4715	0.043	2	109.4715	0.002	2	109.4598	0.002	5	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6a]C[5]H)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,6a]C[5]H)(H)3	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)(H){1|N<2>,1|O<1>,3|C<3>}	H(CC[5]HH)	109.4520	0.058	3	109.4520	0.003	3	109.4598	0.002	5	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(CH3)(H){4|C<3>}	H(CC[5]HH)	109.4470	0.021	3	109.4470	0.000	3	109.4729	0.015	67	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4527	0.023	3	109.4527	0.001	3	109.4729	0.015	67	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){1|N<2>,3|C<3>}	H(CC[5]HH)	109.4683	0.015	3	109.4694	0.000	7	109.4729	0.015	67	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){2|C<3>,2|N<2>}	H(CC[5]HH)	109.4702	0.020	4	109.4694	0.000	7	109.4729	0.015	67	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4849	0.047	19	109.4849	0.002	19	109.4729	0.015	67	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4730	0.036	15	109.4730	0.001	15	109.4729	0.015	67	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H){1|Ru<6>,3|C<3>}	H(CC[5]HH)	109.4606	0.044	5	109.4602	0.002	6	109.4729	0.015	67	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H){3|C<3>}	H(CC[5]HH)	109.4580	0.000	1	109.4602	0.002	6	109.4729	0.015	67	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CH3)(H){1|O<1>,3|C<3>}	H(CC[5]HH)	109.4711	0.367	8	109.4711	0.134	8	109.4729	0.015	67	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CH3)(H){3|C<3>}	H(CC[5]HH)	109.4535	0.015	2	109.4535	0.000	2	109.4729	0.015	67	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]Si[3,3,5]C)(C[5]N[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]Si[3,3,5]C)(C[5]N[5]CH)(CH3)(H){1|Si<5>,1|C<4>,2|O<2>}	H(CC[5]HH)	109.4892	0.013	4	109.4892	0.000	4	109.4729	0.015	67	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5,6]-3:Ge[5]-4:C-4:H-1:	C-4:	C(C[5]P[5,6]Ge[5]H)(H)3	C[5](P[5,6]C[5,6]P[5,6])(Ge[5]P[5,6]CC)(CH3)(H)	H(CC[5]HH)	C(C[5]P[5,6]Ge[5]H)(H)3	C[5](P[5,6]C[5,6]P[5,6])(Ge[5]P[5,6]CC)(CH3)(H){1|Ge<4>,1|P<3>,2|C<3>}	H(CC[5]HH)	109.4797	0.037	3	109.4797	0.001	3	109.4797	0.001	3	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4542	0.023	5	109.4542	0.001	5	109.8672	1.022	17	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	110.0393	1.173	12	110.0393	1.376	12	109.8672	1.022	17	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)2(I)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(CHHI)(H)	H(CC[5]HI)	C(C[5]C[5]2H)(H)2(I)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(CHHI)(H){1|I<1>,4|C<3>}	H(CC[5]HI)	108.9735	0.009	2	108.9735	0.000	2	108.9735	0.000	2	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:I-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(H)2(I)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H)	H(CC[5]HI)	C(C[5]N[5,6]C[5]H)(H)2(I)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]HI)	109.2925	0.056	2	109.2035	0.013	4	109.2035	0.013	4	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:I-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(H)2(I)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H)	H(CC[5]HI)	C(C[5]N[5,6]C[5]H)(H)2(I)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H){1|O<1>,2|H<1>,3|C<4>}	H(CC[5]HI)	109.1145	0.074	2	109.2035	0.013	4	109.2035	0.013	4	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:1:	4:	C[5]-4:H-1:H-1:O-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(H)2(O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CHHO)(H)	H(CC[5]HO)	C(C[5]N[5,6]C[5]H)(H)2(O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CHHO)(H){1|O<1>,3|C<4>,3|H<1>}	H(CC[5]HO)	109.3233	0.314	8	109.3233	0.098	8	109.3233	0.098	8	109.6234	1.267	370	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:2:	4:	C[5]-4:Cl-1:Cl-1:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(Cl)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCl2H)(OH)	H(CC[5]Cl2)	C(C[5]C[5,6a]C[5]O)(Cl)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCl2H)(OH){1|O<1>,1|O<2>,2|C<3>}	H(CC[5]Cl2)	108.2980	0.000	1	108.2980	0.000	1	108.2980	0.000	1	109.4265	0.044	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:2:	4:	C[5]-4:Cl-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(Cl)(H)2	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(CClHH)(OH)	H(CC[5]ClH)	C(C[5]C[5]N[5]O)(Cl)(H)2	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(CClHH)(OH){1|N<3>,2|C<3>}	H(CC[5]ClH)	109.3210	0.010	2	109.3210	0.000	2	109.3210	0.000	2	109.4265	0.044	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5,5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(CC[5]HH)	109.5057	0.012	3	109.5057	0.000	3	109.4666	0.002	10	109.4265	0.044	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5,5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3)(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(CC[5]HH)	109.4825	0.013	4	109.4825	0.000	4	109.4666	0.002	10	109.4265	0.044	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5,5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CH3)(OH){1|C<4>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4063	0.036	3	109.4063	0.001	3	109.4666	0.002	10	109.4265	0.044	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)(OH){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4730	0.000	1	109.4730	0.000	1	109.4681	0.001	10	109.4265	0.044	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH){1|N<3>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4810	0.018	3	109.4725	0.000	6	109.4681	0.001	10	109.4265	0.044	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)(OH){1|O<2>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4640	0.017	3	109.4725	0.000	6	109.4681	0.001	10	109.4265	0.044	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]RuC)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]RuC)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4530	0.051	2	109.4530	0.003	2	109.4681	0.001	10	109.4265	0.044	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CH3)(OH){1|C<4>,1|H<1>,4|C<3>}	H(CC[5]HH)	109.4670	0.000	1	109.4670	0.000	1	109.4681	0.001	10	109.4265	0.044	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]C[6])(C[5]C[5]SiH)(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]C[6])(C[5]C[5]SiH)(CH3)(OC){1|Cr<9>,1|Si<4>,1|O<1>,2|C<4>}	H(CC[5]HH)	109.4835	0.013	2	109.4835	0.000	2	109.4730	0.000	4	109.4265	0.044	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(OC){1|O<1>,3|C<3>}	H(CC[5]HH)	109.4625	0.023	2	109.4625	0.001	2	109.4730	0.000	4	109.4265	0.044	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:O-2:	C-4:	C(C[5]N[5,5]C[5]O)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(OC)	H(CC[5]HH)	C(C[5]N[5,5]C[5]O)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(OC){1|C<4>,2|H<1>,2|N<3>}	H(CC[5]HH)	109.4827	0.044	6	109.4827	0.002	6	109.4827	0.002	6	109.4265	0.044	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)(COO){1|N<3>,4|C<3>}	H(CC[5]HH)	109.4497	0.048	3	109.4497	0.002	3	109.4497	0.002	3	109.4618	0.001	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCC)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCC){1|H<1>,1|N<3>,3|C<3>}	H(CC[5]HH)	109.4600	0.000	1	109.4600	0.000	1	109.4669	0.001	10	109.4618	0.001	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)(CCH){1|H<1>,1|N<3>,3|C<3>}	H(CC[5]HH)	109.4520	0.036	3	109.4520	0.001	3	109.4669	0.001	10	109.4618	0.001	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)(COO){3|H<1>,4|C<3>}	H(CC[5]HH)	109.4755	0.019	6	109.4755	0.000	6	109.4669	0.001	10	109.4618	0.001	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-3:	C-4:	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)(COO)	H(CC[5]HH)	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)(COO){1|O<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4604	0.013	5	109.4604	0.000	5	109.4604	0.000	5	109.4618	0.001	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CH3)(COO){3|C<3>}	H(CC[5]HH)	109.4593	0.079	3	109.4593	0.006	3	109.4593	0.006	3	109.4618	0.001	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]C[5,6]2H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]C[5,6]2H)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4917	0.030	6	109.4917	0.001	6	109.4917	0.001	6	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[5]HH)	109.4742	0.057	5	109.4697	0.002	9	109.4697	0.002	9	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|N<3>,2|C<3>}	H(CC[5]HH)	109.4640	0.020	4	109.4697	0.002	9	109.4697	0.002	9	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5a]C[5,6]C)(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5a]C[5,6]C)(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<4>,3|C<3>,3|H<1>}	H(CC[5]HH)	109.4852	0.025	4	109.4852	0.001	4	109.4852	0.001	4	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HO)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HO)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4600	0.021	5	109.4600	0.000	5	110.1563	6.589	21	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]HH)(CH3)2{1|C<4>,1|N<3>,3|C<3>}	H(CC[5]HH)	110.3739	2.928	16	110.3739	8.573	16	110.1563	6.589	21	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(CH3){2|C<4>,4|H<1>}	H(CC[5]HH)	109.4415	0.025	4	109.4415	0.001	4	109.4671	0.001	53	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4810	0.037	5	109.4737	0.001	24	109.4671	0.001	53	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4718	0.027	19	109.4737	0.001	24	109.4671	0.001	53	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(CH3){1|C<3>,1|H<1>,4|C<4>}	H(CC[5]HH)	109.4627	0.029	3	109.4627	0.001	3	109.4671	0.001	53	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHO)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHO)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4620	0.017	3	109.4620	0.000	3	109.4671	0.001	53	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)2{1|O<1>,2|C<3>}	H(CC[5]HH)	109.4710	0.037	8	109.4710	0.001	8	109.4671	0.001	53	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]N[5,6,6]N[6])(C[5]C[5,6]CC)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]N[5,6,6]N[6])(C[5]C[5,6]CC)(CH3)2{1|B<4>,1|C<3>,1|N<2>}	H(CC[5]HH)	109.4610	0.024	7	109.4610	0.001	7	109.4671	0.001	53	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4630	0.018	4	109.4630	0.000	4	109.4671	0.001	53	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[3,5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[3,5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CCHH)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.5130	0.019	3	109.5130	0.000	3	109.4957	0.002	9	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[3,5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]P[3,5]C[3]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[3,5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]P[3,5]C[3]H)(CH3)2{1|Au<2>,1|C<4>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4870	0.048	6	109.4870	0.002	6	109.4957	0.002	9	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)2{1|B<3>,1|O<2>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4598	0.058	46	109.4598	0.003	46	109.4591	0.003	63	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(CH3)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4350	0.046	5	109.4350	0.002	5	109.4591	0.003	63	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]O[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]O[5]C)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4663	0.029	12	109.4663	0.001	12	109.4591	0.003	63	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<4>,3|C<3>,3|H<1>}	H(CC[5]HH)	109.4768	0.045	11	109.8043	1.292	23	109.7987	2.017	320	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<2>,3|C<3>,3|H<1>}	H(CC[5]HH)	109.4595	0.032	6	109.8043	1.292	23	109.7987	2.017	320	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	H(CC[5]HH)	110.7497	2.056	6	109.8043	1.292	23	109.7987	2.017	320	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(CH3)2{3|O<1>,4|N<3>}	H(CC[5]HH)	109.5120	0.056	5	109.5120	0.003	5	109.7987	2.017	320	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	H(CC[5]HH)	109.4638	0.040	23	109.8436	2.358	260	109.7987	2.017	320	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(CC[5]HH)	109.4676	0.035	23	109.8436	2.358	260	109.7987	2.017	320	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,1|H<1>,5|C<3>}	H(CC[5]HH)	110.5592	1.209	10	109.8436	2.358	260	109.7987	2.017	320	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(CC[5]HH)	110.0263	2.670	48	109.8436	2.358	260	109.7987	2.017	320	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	H(CC[5]HH)	109.6931	1.033	129	109.8436	2.358	260	109.7987	2.017	320	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	H(CC[5]HH)	109.4834	0.018	5	109.8436	2.358	260	109.7987	2.017	320	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{2|C<4>,3|C<3>,3|H<1>}	H(CC[5]HH)	109.4703	0.022	10	109.8436	2.358	260	109.7987	2.017	320	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])(CH3)2{2|H<1>,5|C<3>}	H(CC[5]HH)	112.0434	2.123	12	109.8436	2.358	260	109.7987	2.017	320	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CH3)2{1|H<1>,3|C<3>,3|C<4>}	H(CC[5]HH)	109.4843	0.018	4	109.4843	0.000	4	109.7987	2.017	320	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6]H)(CH3)2{1|H<1>,5|C<3>}	H(CC[5]HH)	109.4660	0.024	5	109.4660	0.001	5	109.7987	2.017	320	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	H(CC[5]HH)	109.4751	0.041	18	109.4756	0.001	23	109.7987	2.017	320	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4772	0.026	5	109.4756	0.001	23	109.7987	2.017	320	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]HH)(CH3)2{1|C<4>,3|C<3>}	H(CC[5]HH)	109.4744	0.021	5	109.4744	0.000	5	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5]C)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(CC[5]HH)	109.4700	0.000	1	109.4700	0.000	1	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|Br<1>,1|C<4>,3|C<3>}	H(CC[5]HH)	109.4818	0.029	10	109.5132	0.186	108	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	H(CC[5]HH)	109.5213	0.473	90	109.5132	0.186	108	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CH3)2{1|H<1>,4|C<3>}	H(CC[5]HH)	109.4604	0.035	8	109.5132	0.186	108	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4958	6.336	6	109.4895	20.073	11	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4820	0.020	5	109.4895	20.073	11	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|Br<1>,1|C<4>,3|C<3>}	H(CC[5]HH)	109.4775	0.041	6	109.5659	0.520	128	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	H(CC[5]HH)	109.4735	0.037	18	109.5659	0.520	128	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<2>,3|C<3>}	H(CC[5]HH)	109.4662	0.034	10	109.5659	0.520	128	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	110.5321	1.636	10	109.5659	0.520	128	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|H<1>,4|C<3>}	H(CC[5]HH)	109.4663	0.032	12	109.5659	0.520	128	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4766	0.037	39	109.5659	0.520	128	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|O<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4644	0.038	7	109.5659	0.520	128	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|P<3>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4567	0.029	3	109.5659	0.520	128	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{1|S<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4885	0.026	6	109.5659	0.520	128	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{2|C<3>,3|H<1>}	H(CC[5]HH)	109.4607	0.047	11	109.5659	0.520	128	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)2{2|C<4>,3|C<3>}	H(CC[5]HH)	109.7097	2.502	6	109.5659	0.520	128	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4696	0.021	5	109.4696	0.000	5	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(CH3){1|H<1>,6|C<3>}	H(CC[5]HH)	109.5010	0.026	3	109.5010	0.001	3	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(CCHH)(CH3){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	H(CC[5]HH)	109.4690	0.000	1	109.4690	0.000	1	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CC[5]HH)	109.4680	0.000	1	109.4680	0.000	1	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CH3)2{3|H<1>,4|C<3>}	H(CC[5]HH)	109.4547	0.022	4	109.4547	0.000	4	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	110.8337	1.524	6	110.8337	2.322	6	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(CH3){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4590	0.011	2	109.4590	0.000	2	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]CH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4697	0.015	3	109.4697	0.000	3	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HO)(CH3){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4580	0.023	2	109.4580	0.001	2	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CH3)2{1|H<1>,3|C<3>}	H(CC[5]HH)	109.4793	0.017	6	109.4793	0.000	6	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(CH3){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4790	0.030	3	109.4790	0.001	3	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6]HH)(CH3){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4117	0.021	3	109.4117	0.000	3	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]HH)(CH3){1|H<1>,2|C<3>}	H(CC[5]HH)	109.5047	0.023	3	109.5047	0.001	3	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CH3)2{3|C<3>}	H(CC[5]HH)	109.4645	0.032	10	109.4645	0.001	10	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CHHN)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CHHN)(CH3){3|C<3>}	H(CC[5]HH)	109.4745	0.036	4	109.4745	0.001	4	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2{1|Ir<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4877	0.044	15	109.4830	0.002	29	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2{1|Ir<4>,1|H<1>,3|C<3>}	H(CC[5]HH)	109.4410	0.054	4	109.4830	0.002	29	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2{1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.5006	0.043	5	109.4830	0.002	29	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CH3)2{2|Mo<9>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4848	0.029	5	109.4830	0.002	29	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CH3)2{1|O<2>,2|C<3>}	H(CC[5]HH)	109.4772	0.024	10	109.4772	0.001	10	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]HH)(CH3)2{3|C<3>}	H(CC[5]HH)	109.4663	0.041	7	109.4663	0.002	7	109.5425	0.873	355	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:Si[5,5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]Si[5,5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]Si[5]C[5]2)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6a]Si[5,5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]Si[5]C[5]2)(CH3)2{1|N<2>,2|H<1>,3|C<3>,4|C<4>}	H(CC[5]HH)	109.4625	0.033	4	109.4625	0.001	4	109.4625	0.001	4	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2{1|C<2>,1|C<3>,2|C<4>,2|S<2>}	H(CC[5]HH)	109.4658	0.027	6	109.4640	0.001	11	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2{2|Se<2>,1|C<2>,1|C<3>,2|C<4>}	H(CC[5]HH)	109.4618	0.026	5	109.4640	0.001	11	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2{1|B<3>,1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4670	0.052	6	109.4691	0.005	11	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2{2|Se<2>,1|C<2>,1|C<3>,2|C<4>}	H(CC[5]HH)	109.4716	0.092	5	109.4691	0.005	11	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]B[6]N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]B[6]N[5])(C[5]C[5]HH)(CH3)2{1|Cr<9>,1|C<3>,4|C<4>}	H(CC[5]HH)	109.4617	0.039	9	109.4593	0.001	14	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]B[6]N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]B[6]N[5])(C[5]C[5]HH)(CH3)2{2|Li<7>,1|C<3>,2|C<4>,2|C<5>}	H(CC[5]HH)	109.4550	0.026	5	109.4593	0.001	14	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CH3)2{1|C<4>,4|C<3>}	H(CC[5]HH)	109.4602	0.040	5	109.4602	0.002	5	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|C<4>,3|C<3>}	H(CC[5]HH)	109.9292	1.012	73	109.8299	0.838	93	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|S<2>,3|C<3>}	H(CC[5]HH)	109.4459	0.030	9	109.8299	0.838	93	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|S<3>,3|C<3>}	H(CC[5]HH)	109.4848	0.023	11	109.8299	0.838	93	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[5]HH)	109.4670	0.004	2	109.4670	0.000	2	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>}	H(CC[5]HH)	109.4663	0.010	4	109.4712	0.000	29	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2{1|N<3>,4|C<4>}	H(CC[5]HH)	109.4723	0.006	6	109.4712	0.000	29	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2{2|N<3>,3|C<4>}	H(CC[5]HH)	109.4719	0.026	19	109.4712	0.000	29	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3)2{2|C<3>,3|C<4>}	H(CC[5]HH)	109.4630	0.052	3	109.4630	0.003	3	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3)2{1|Ir<6>,3|C<3>}	H(CC[5]HH)	109.4670	0.037	5	109.4670	0.001	5	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HH)(CH3){1|H<1>,4|C<3>}	H(CC[5]HH)	109.4773	0.049	3	109.4773	0.002	3	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HO)(CH3){2|C<3>,3|H<1>}	H(CC[5]HH)	109.4528	0.035	5	109.4528	0.001	5	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|H<1>,3|C<3>}	H(CC[5]HH)	109.4860	0.021	6	109.4860	0.000	6	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4630	0.011	2	109.4746	0.001	36	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<1>,3|C<3>}	H(CC[5]HH)	109.4787	0.033	21	109.4746	0.001	36	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|O<1>,1|O<2>,3|C<3>}	H(CC[5]HH)	109.4800	0.038	4	109.4746	0.001	36	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{2|C<3>,3|C<4>}	H(CC[5]HH)	109.4653	0.022	9	109.4746	0.001	36	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2{1|S<4>,2|C<3>}	H(CC[5]HH)	109.4762	0.047	8	109.4707	0.001	23	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2{3|C<3>}	H(CC[5]HH)	109.4677	0.025	15	109.4707	0.001	23	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(CH3)2{3|C<3>}	H(CC[5]HH)	109.5020	0.055	6	109.5020	0.003	6	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CH3)2{2|C<3>}	H(CC[5]HH)	109.4747	0.027	24	109.4747	0.001	24	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CH3)2{2|C<3>}	H(CC[5]HH)	109.4696	0.023	5	109.4696	0.001	5	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]Si[6]N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]Si[6]N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,4|C<4>}	H(CC[5]HH)	109.4748	0.037	5	109.4748	0.001	5	109.5879	0.299	286	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]HO)(CH3){1|N<3>,3|C<3>,4|H<1>}	H(CC[5]HH)	109.4476	0.032	5	109.4476	0.001	5	109.4476	0.001	5	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6,6]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[6,6]C[5]2)(H)3	C[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CC)(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[6,6]C[5]2)(H)3	C[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CC)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(CC[5]HH)	111.2257	2.647	3	111.2257	7.004	3	111.2257	7.004	3	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[5]2C[6])(H)3	C[5](C[6]C[3x6]C[6])(C[5]C[5]CC)(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C[6])(H)3	C[5](C[6]C[3x6]C[6])(C[5]C[5]CC)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	H(CC[5]HH)	111.7200	1.609	3	111.7200	2.589	3	111.7200	2.589	3	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[3,5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[3,5]C[6a]C[5])(H)3	C[5](C[6a]C[5a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[3,5]C[6a]C[5])(H)3	C[5](C[6a]C[5a,6a]C[6a])(C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(CC[5]HH)	109.4790	0.040	2	109.4790	0.002	2	109.4790	0.002	2	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)(CH3){2|C<3>,2|O<2>,4|H<1>}	H(CC[5]HH)	109.4660	0.006	2	109.4660	0.000	2	109.4668	0.000	9	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]O[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]O[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4783	0.019	3	109.4783	0.000	3	109.4668	0.000	9	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]O[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4585	0.020	4	109.4585	0.000	4	109.4668	0.000	9	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]B[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]B[5]HH)(CH3)2{1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[5]HH)	109.4796	0.024	5	109.4703	0.001	15	109.5076	0.637	165	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]B[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]B[5]HH)(CH3)2{2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	H(CC[5]HH)	109.4656	0.044	10	109.4703	0.001	15	109.5076	0.637	165	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)2{1|C<3>,1|H<1>,1|N<3>}	H(CC[5]HH)	109.4924	0.021	5	109.4772	0.002	61	109.5076	0.637	165	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)2{1|Ga<4>,1|C<3>,1|N<3>}	H(CC[5]HH)	109.4826	0.025	24	109.4772	0.002	61	109.5076	0.637	165	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)2{1|Rh<4>,1|C<3>,1|N<3>}	H(CC[5]HH)	109.4707	0.058	32	109.4772	0.002	61	109.5076	0.637	165	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|N<3>,3|H<1>}	H(CC[5]HH)	109.4607	0.027	8	109.4607	0.001	8	109.5076	0.637	165	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]O[5])(C[5]N[5]CC)(CH3)2	H(CC[5]HH)	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]O[5])(C[5]N[5]CC)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	H(CC[5]HH)	109.4759	0.052	23	109.4759	0.003	23	109.5076	0.637	165	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]O[5])(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]O[5])(C[5]O[5]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>}	H(CC[5]HH)	109.4737	0.034	18	109.4737	0.001	18	109.5076	0.637	165	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]Se[5])(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,5]Se[5])(C[5]O[5]HH)(CH3)2{2|C<3>}	H(CC[5]HH)	109.4692	0.025	6	109.4692	0.001	6	109.5076	0.637	165	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3)2{1|B<3>,2|C<3>,3|C<4>}	H(CC[5]HH)	109.4788	0.028	4	109.4788	0.001	4	109.5076	0.637	165	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[5]HH)	109.8973	2.917	13	109.6793	3.972	27	109.5076	0.637	165	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2{2|C<4>,2|O<1>}	H(CC[5]HH)	109.4769	0.025	14	109.6793	3.972	27	109.5076	0.637	165	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]N[5,5]C[5]C)(H)3	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CHHO)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[5]HH)	109.4547	0.020	3	109.4547	0.000	3	109.5076	0.637	165	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,6,6a]C[5]C)(H)3	C[5](N[5,6,6a]B[6,6,6a]C[5,6,6a])(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,6,6a]C[5]C)(H)3	C[5](N[5,6,6a]B[6,6,6a]C[5,6,6a])(C[5]O[5]HH)(CH3)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>}	H(CC[5]HH)	109.4725	0.031	25	109.4725	0.001	25	109.4725	0.001	25	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]B[5a,6]C[5,6])(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]B[5a,6]C[5,6])(C[5]O[5]HH)(CH3)2{1|C<3>,1|N<3>,2|O<2>}	H(CC[5]HH)	109.6654	1.971	12	109.6654	3.883	12	109.5122	0.829	53	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]C[3x6]C[5,6])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]C[3x6]C[5,6])(C[5]C[5]HH)(CH3)2{2|C<3>,3|C<4>}	H(CC[5]HH)	109.4695	0.024	8	109.4695	0.001	8	109.5122	0.829	53	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]O[5]HH)(CH3)2{1|C<3>,1|N<3>,2|F<1>}	H(CC[5]HH)	109.4483	0.043	6	109.4483	0.002	6	109.5122	0.829	53	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)2{1|C<4>,3|C<3>}	H(CC[5]HH)	109.4751	0.037	7	109.4751	0.001	7	109.5122	0.829	53	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,6]HH)(CH3)2{1|Si<3>,1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4810	0.034	4	109.4810	0.001	4	109.5122	0.829	53	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)2{1|Si<3>,1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4732	0.039	6	109.4732	0.002	6	109.5122	0.829	53	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4644	0.027	5	109.4629	0.001	10	109.5122	0.829	53	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,6]C[5]C)(H)3	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4614	0.045	5	109.4629	0.001	10	109.5122	0.829	53	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,6a]C[5]C)(H)3	C[5](N[5,6a]C[5,6a]B[6a])(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[5,6a]C[5]C)(H)3	C[5](N[5,6a]C[5,6a]B[6a])(C[5]O[5]HH)(CH3)2{1|B<4>,1|N<3>,2|C<3>}	H(CC[5]HH)	109.4674	0.028	10	109.4674	0.001	10	109.4674	0.001	10	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[4,5]C[6a])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[4,5]C[6a])(C[5]C[5]HH)(CH3)2{1|B<3>,2|C<4>,3|C<3>}	H(CC[5]HH)	109.4657	0.022	4	109.4657	0.000	4	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3)2{1|B<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4646	0.030	5	109.4646	0.001	5	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CH3)2{1|O<2>,2|C<4>,3|C<3>}	H(CC[5]HH)	109.4700	0.000	1	109.4700	0.000	1	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5,5]H)(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5,5]H)(C[5]O[5]HH)(CH3)2{1|C<3>,1|C<4>}	H(CC[5]HH)	109.4708	0.028	5	109.4708	0.001	5	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CH3)2{1|Li<6>,1|B<5>,1|C<3>,1|H<1>,3|C<4>}	H(CC[5]HH)	109.4848	0.041	6	109.4808	0.001	8	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CH3)2{2|H<1>,4|C<4>}	H(CC[5]HH)	109.4685	0.005	2	109.4808	0.001	8	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4514	0.032	5	109.4514	0.001	5	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|As<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4677	0.023	6	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|B<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4712	0.071	4	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|B<6>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4480	0.032	4	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Be<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4638	0.033	4	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Be<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4695	0.033	4	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|C<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4550	0.028	14	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Ga<4>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4762	0.041	8	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Ge<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4707	0.031	12	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4743	0.012	3	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|H<1>,1|P<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4792	0.014	4	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4561	0.039	7	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|H<1>,2|C<4>,3|C<3>}	H(CC[5]HH)	109.4868	0.025	4	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Ni<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4762	0.015	5	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Ni<4>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4924	0.023	8	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4600	0.024	5	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|P<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4700	0.029	11	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|P<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.9142	2.691	6	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|S<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4708	0.016	5	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Si<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4682	0.015	6	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Si<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4556	0.042	5	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4555	0.024	4	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Si<4>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4717	0.036	10	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{2|C<3>,2|C<4>}	H(CC[5]HH)	109.4588	0.031	5	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{2|C<4>,3|C<3>}	H(CC[5]HH)	109.4681	0.028	29	109.4835	0.218	173	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Al<3>,1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4755	0.029	6	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Al<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4895	0.043	6	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Al<4>,1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4565	0.028	4	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Al<4>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4734	0.015	9	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|As<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	110.2480	1.211	12	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4617	0.034	4	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<3>,1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4646	0.032	11	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.5246	0.423	127	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<4>,1|C<4>,3|C<3>}	H(CC[5]HH)	109.4350	0.207	6	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<4>,1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4762	0.033	4	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<4>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.5695	0.586	70	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<5>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4607	0.026	4	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Be<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4795	0.026	10	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Be<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4794	0.042	10	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|C<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4770	0.032	28	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Co<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4613	0.029	7	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Co<4>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4592	0.029	10	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Cr<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4580	0.019	5	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Cr<6>,1|C<4>,3|C<3>}	H(CC[5]HH)	109.4476	0.030	5	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Cu<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4905	0.061	4	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Cu<4>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4688	0.030	4	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Fe<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4589	0.033	24	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Fe<4>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4709	0.046	35	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Fe<5>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4570	0.039	6	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4736	0.037	27	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ga<4>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4618	0.035	11	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ge<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4890	0.031	4	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ge<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4704	0.038	10	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4718	0.005	6	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4856	0.017	5	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|P<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4760	0.004	2	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4768	0.047	17	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	H(CC[5]HH)	109.4663	0.010	3	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<4>,3|C<3>}	H(CC[5]HH)	109.4716	0.019	5	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ir<4>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4717	0.015	3	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ir<6>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4670	0.032	6	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ni<5>,2|C<3>,3|C<4>}	H(CC[5]HH)	109.5000	0.031	5	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4698	0.155	6	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|P<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4700	0.022	13	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|P<4>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4741	0.010	8	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ru<5>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4559	0.042	21	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Se<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4709	0.026	9	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Si<3>,1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4465	0.028	6	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Si<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4679	0.050	34	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4703	0.034	9	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Si<4>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4729	0.040	40	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Sn<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4616	0.035	5	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ti<4>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4674	0.016	5	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ti<5>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4727	0.020	6	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|B<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4762	0.022	17	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|C<4>,3|C<3>}	H(CC[5]HH)	109.4758	0.040	38	109.5017	0.097	732	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHI)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHI)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4657	0.077	3	109.4657	0.006	3	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|C<4>,2|N<2>}	H(CC[5]HH)	109.3493	2.237	12	109.3493	5.004	12	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]O[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]O[5])(C[5]C[5]HH)(CH3)2{1|C<4>,1|N<3>,2|C<3>}	H(CC[5]HH)	109.4720	0.024	4	109.4720	0.001	4	109.4953	0.172	952	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]B[5,5]Mg)(C[5]O[5]CC)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]B[5,5]Mg)(C[5]O[5]CC)(CH3)2{1|C<3>,1|N<3>}	H(CC[5]HH)	109.4950	0.011	3	109.4748	0.002	18	109.4748	0.002	18	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	O[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]B[5,5]Mg)(C[5]O[5]CC)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](O[5]B[5,5]Mg)(C[5]O[5]CC)(CH3)2{1|O<2>,1|O<3>}	H(CC[5]HH)	109.4708	0.046	15	109.4748	0.002	18	109.4748	0.002	18	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	3:4:4:4:	4:	C[5]-4:H-1:H-1:I-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)2(I)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHI)(CH3)	H(CC[5]HI)	C(C[5]C[5]N[5]C)(H)2(I)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHI)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HI)	109.0170	0.000	1	109.0170	0.000	1	109.0170	0.000	1	109.5637	0.655	2376	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](CC[3,5]HH)(O[5]C[5])2(CH3)	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](CC[3,5]HH)(O[5]C[5])2(CH3){4|H<1>}	H(CC[5]HH)	109.4663	0.032	6	109.4663	0.001	6	109.4912	0.020	17	109.6591	1.420	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]O[5]2C)(H)3	C[5](CC[6a]HH)(O[5]C[5])2(CH3)	H(CC[5]HH)	C(C[5]O[5]2C)(H)3	C[5](CC[6a]HH)(O[5]C[5])2(CH3){4|H<1>}	H(CC[5]HH)	109.5047	0.177	11	109.5047	0.031	11	109.4912	0.020	17	109.6591	1.420	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]O[5]CC)(O[5]C[5])(OC[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]O[5]CC)(O[5]C[5])(OC[5])(CH3){1|O<1>}	H(CC[5]HH)	109.4853	0.045	3	109.4853	0.002	3	109.4853	0.002	3	109.6591	1.420	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]2)(H)3	C[5](C[5]C[5,6]C[5]H)(O[5]C[5])2(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]2)(H)3	C[5](C[5]C[5,6]C[5]H)(O[5]C[5])2(CH3){4|C<4>,6|H<1>}	H(CC[5]HH)	109.4620	0.000	1	109.4620	0.000	1	109.4673	0.000	7	109.6591	1.420	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]2)(H)3	C[5](C[5]C[5]2H)(O[5]C[5])2(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]2)(H)3	C[5](C[5]C[5]2H)(O[5]C[5])2(CH3){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(CC[5]HH)	109.4750	0.019	4	109.4750	0.000	4	109.4673	0.000	7	109.6591	1.420	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]2)(H)3	C[5](C[5]O[5]2C)(O[5]C[5])2(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]2)(H)3	C[5](C[5]O[5]2C)(O[5]C[5])2(CH3){2|C<4>,4|H<1>}	H(CC[5]HH)	109.4545	0.006	2	109.4545	0.000	2	109.4673	0.000	7	109.6591	1.420	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-2:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5]2)(H)3	C[5](C[5]S[5]2C)(S[5]C[5])2(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5]2)(H)3	C[5](C[5]S[5]2C)(S[5]C[5])2(CH3){2|C<4>,4|H<1>}	H(CC[5]HH)	110.6077	3.074	6	110.6077	9.450	6	110.6077	9.450	6	109.6591	1.420	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[6]O[5]2)(H)3	C[5](C[6]C[6]2C)(O[5]C[5])2(CH3)	H(CC[5]HH)	C(C[5]C[6]O[5]2)(H)3	C[5](C[6]C[6]2C)(O[5]C[5])2(CH3){1|C<3>,1|C<4>,8|H<1>}	H(CC[5]HH)	109.5187	0.072	3	109.5187	0.005	3	109.4967	0.003	6	109.6591	1.420	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6]-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[6]O[5]2)(H)3	C[5](C[6]C[6]2Cr)(O[5]C[5])2(CH3)	H(CC[5]HH)	C(C[5]C[6]O[5]2)(H)3	C[5](C[6]C[6]2Cr)(O[5]C[5])2(CH3){2|C<4>,6|H<1>}	H(CC[5]HH)	109.4747	0.021	3	109.4747	0.000	3	109.4967	0.003	6	109.6591	1.420	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CN[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CN[5]O)(CH3){1|O<1>,2|C<3>}	H(CC[5]HH)	109.4633	0.040	3	109.4633	0.002	3	109.4633	0.002	3	109.4698	0.001	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C[5]-3:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,6a]C[5]O)(O[5]C[5,5])(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,6a]C[5]O)(O[5]C[5,5])(C[5]C[5]H)(CH3){1|N<3>,1|O<1>,5|C<3>}	H(CC[5]HH)	109.4763	0.030	3	109.4763	0.001	3	109.4763	0.001	3	109.4698	0.001	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(Br)(H)2	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CBrHH)(H)	H(CC[5]BrH)	C(C[5]C[5]O[5]H)(Br)(H)2	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CBrHH)(H){1|C<4>,2|O<2>,3|C<3>}	H(CC[5]BrH)	109.2770	0.018	4	109.2770	0.000	4	109.5053	0.043	16	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(Br)(H)2	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(CBrHH)(H)	H(CC[5]BrH)	C(C[5]C[5]O[5]H)(Br)(H)2	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(CBrHH)(H){1|C<3>,1|H<1>,1|O<2>}	H(CC[5]BrH)	109.5325	0.324	4	109.5325	0.105	4	109.5053	0.043	16	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(Br)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CBrHH)(H)	H(CC[5]BrH)	C(C[5]C[5]O[5]H)(Br)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CBrHH)(H){1|C<3>,1|O<1>,1|O<2>}	H(CC[5]BrH)	109.5250	0.034	2	109.5250	0.001	2	109.5053	0.043	16	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(Br)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(H)	H(CC[5]BrH)	C(C[5]C[5]O[5]H)(Br)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(H){1|C<4>,1|H<1>,2|O<2>}	H(CC[5]BrH)	109.6970	0.010	2	109.6970	0.000	2	109.5053	0.043	16	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(Br)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CBrHH)(H)	H(CC[5]BrH)	C(C[5]C[5]O[5]H)(Br)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CBrHH)(H){1|C<3>,1|S<4>}	H(CC[5]BrH)	109.6008	0.040	4	109.6008	0.002	4	109.5053	0.043	16	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C-4:	C(C[5]Se[5]C[5]H)(Br)(H)2	C[5](C[5]C[5,6a]HH)(Se[5]C[5,6a])(CBrHH)(H)	H(CC[5]BrH)	C(C[5]Se[5]C[5]H)(Br)(H)2	C[5](C[5]C[5,6a]HH)(Se[5]C[5,6a])(CBrHH)(H){2|C<3>}	H(CC[5]BrH)	109.4385	0.052	2	109.4385	0.003	2	109.4385	0.003	2	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:Cl-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(Cl)(H)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CClHH)(H)	H(CC[5]ClH)	C(C[5]C[5,5]O[5]H)(Cl)(H)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CClHH)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	H(CC[5]ClH)	109.2450	0.028	2	109.2450	0.001	2	109.2450	0.001	2	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(Cl)(H)2	C[5](C[5]C[5]CH)(O[5]N[5])(CClHH)(H)	H(CC[5]ClH)	C(C[5]C[5]O[5]H)(Cl)(H)2	C[5](C[5]C[5]CH)(O[5]N[5])(CClHH)(H){1|C<3>,2|H<1>}	H(CC[5]ClH)	109.1805	0.151	4	109.1805	0.023	4	109.4644	0.066	14	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(Cl)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H)	H(CC[5]ClH)	C(C[5]C[5]O[5]H)(Cl)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H){1|C<4>,1|H<1>,2|O<2>}	H(CC[5]ClH)	109.5296	0.185	8	109.5296	0.034	8	109.4644	0.066	14	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(Cl)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CClHH)(H)	H(CC[5]ClH)	C(C[5]C[5]O[5]H)(Cl)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CClHH)(H){3|C<3>}	H(CC[5]ClH)	109.7715	0.053	2	109.7715	0.003	2	109.4644	0.066	14	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:F-1:F-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(F)2(H)	C[5](C[5]C[5,5]CH)(N[5]N[5])(CFFH)(H)	H(CC[5]FF)	C(C[5]C[5]N[5]H)(F)2(H)	C[5](C[5]C[5,5]CH)(N[5]N[5])(CFFH)(H){2|C<3>}	H(CC[5]FF)	110.5450	0.000	1	110.5450	0.000	1	110.5450	0.000	1	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3x5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[3x5,6]O[5]H)(H)3	C[5](C[3x5,6]C[5,5,6,6]C[5,5,6]O[5,6])(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[3x5,6]O[5]H)(H)3	C[5](C[3x5,6]C[5,5,6,6]C[5,5,6]O[5,6])(O[5]C[5])(CH3)(H){1|O<1>,2|O<2>,4|C<4>}	H(CC[5]HH)	109.4871	0.050	11	109.4871	0.003	11	109.4871	0.003	11	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3x5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[3x5]O[5]H)(H)3	C[5](C[3x5]C[3,3x5]C[5,6a]2)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[3x5]O[5]H)(H)3	C[5](C[3x5]C[3,3x5]C[5,6a]2)(O[5]C[5])(CH3)(H){1|O<1>,2|C<4>,4|C<3>}	H(CC[5]HH)	109.3757	1.929	3	109.3757	3.721	3	109.3757	3.721	3	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5,5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[4,5,5]S[5]H)(H)3	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(S[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[4,5,5]S[5]H)(H)3	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(S[5]C[5])(CH3)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4790	0.014	3	109.4790	0.000	3	109.4790	0.000	3	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[4,5]O[5]H)(H)3	C[5](C[4,5]C[4,5]N[4]C)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[4,5]O[5]H)(H)3	C[5](C[4,5]C[4,5]N[4]C)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(CC[5]HH)	109.4553	0.043	3	109.4553	0.002	3	109.4553	0.002	3	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[4,5]S[5]H)(H)3	C[5](C[4,5]C[4,5,5]C[4,5]H)(S[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[4,5]S[5]H)(H)3	C[5](C[4,5]C[4,5,5]C[4,5]H)(S[5]C[5])(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.4900	0.013	2	109.4900	0.000	2	109.4783	0.001	9	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[4,5]S[5]H)(H)3	C[5](C[4,5]C[4,5]2C)(S[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[4,5]S[5]H)(H)3	C[5](C[4,5]C[4,5]2C)(S[5]C[5])(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4687	0.036	3	109.4687	0.001	3	109.4783	0.001	9	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[4,5]S[5]H)(H)3	C[5](C[4,5]C[4,5]2H)(S[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[4,5]S[5]H)(H)3	C[5](C[4,5]C[4,5]2H)(S[5]C[5])(CH3)(H){1|C<3>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.4940	0.011	2	109.4940	0.000	2	109.4783	0.001	9	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[4,5]S[5]H)(H)3	C[5](C[4,5]C[4,5]C[6a]O[4])(S[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[4,5]S[5]H)(H)3	C[5](C[4,5]C[4,5]C[6a]O[4])(S[5]C[5])(CH3)(H){1|C<4>,1|O<2>,4|C<3>}	H(CC[5]HH)	109.4655	0.030	2	109.4655	0.001	2	109.4783	0.001	9	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5,6]O[5]H)(H)3	C[5](C[5,5,6]C[5,5,6,6]C[5]O[6])(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]O[5]H)(H)3	C[5](C[5,5,6]C[5,5,6,6]C[5]O[6])(O[5]C[5])(CH3)(H){1|C<3>,2|O<1>,3|C<4>}	H(CC[5]HH)	109.4750	0.018	2	109.4750	0.000	2	109.4626	0.002	5	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5,6]O[5]H)(H)3	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]O[5]H)(H)3	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>}	H(CC[5]HH)	109.4543	0.060	3	109.4543	0.004	3	109.4626	0.002	5	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(CC[5]HH)	109.4713	0.039	6	109.4713	0.001	6	109.6479	1.501	86	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5,5,6]C[5]O)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5,5,6]C[5]O)(O[5]C[5])(CH3)(H){1|C<3>,2|C<4>,2|O<1>}	H(CC[5]HH)	110.0192	1.485	9	110.0192	2.204	9	109.6479	1.501	86	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4790	0.017	3	109.4790	0.000	3	109.6479	1.501	86	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4643	0.014	3	109.4643	0.000	3	109.6479	1.501	86	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	H(CC[5]HH)	109.4482	0.019	5	109.4482	0.000	5	109.6479	1.501	86	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[5]HH)	110.5270	1.999	3	110.5270	3.997	3	109.6479	1.501	86	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4683	0.016	3	109.4683	0.000	3	109.6479	1.501	86	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	H(CC[5]HH)	109.4652	0.029	4	109.4663	0.000	12	109.6479	1.501	86	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	H(CC[5]HH)	109.4683	0.030	3	109.4663	0.000	12	109.6479	1.501	86	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4687	0.021	3	109.4663	0.000	12	109.6479	1.501	86	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.4615	0.011	2	109.4663	0.000	12	109.6479	1.501	86	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(CC[5]HH)	109.6747	1.750	24	109.6444	2.373	42	109.6479	1.501	86	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	110.4790	0.454	3	109.6444	2.373	42	109.6479	1.501	86	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	H(CC[5]HH)	109.9403	1.072	9	109.6444	2.373	42	109.6479	1.501	86	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]O[5]H)(H)3	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	108.6618	1.306	6	109.6444	2.373	42	109.6479	1.501	86	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6,6]O[5]H)(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]N[5,6,6])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6,6]O[5]H)(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]N[5,6,6])(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4680	0.044	6	109.4680	0.002	6	109.4547	0.003	12	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6,6]O[5]H)(H)3	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5,6])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6,6]O[5]H)(H)3	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5,6])(CH3)(H){2|C<4>,2|N<3>,6|H<1>}	H(CC[5]HH)	109.4413	0.062	6	109.4413	0.004	6	109.4547	0.003	12	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(CH3)(H){1|C<4>,2|O<2>,4|C<3>}	H(CC[5]HH)	109.4955	0.050	4	109.4955	0.003	4	109.5615	0.213	44	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	H(CC[5]HH)	109.4740	0.006	2	109.4740	0.000	2	109.5615	0.213	44	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4768	0.028	4	109.4768	0.001	4	109.5615	0.213	44	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	H(CC[5]HH)	109.4377	0.013	3	109.4377	0.000	3	109.5615	0.213	44	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.5390	0.183	3	109.9387	1.104	8	109.5615	0.213	44	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(CC[5]HH)	109.4770	0.023	2	109.9387	1.104	8	109.5615	0.213	44	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	110.6463	1.621	3	109.9387	1.104	8	109.5615	0.213	44	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CH3)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(CC[5]HH)	109.4764	0.025	9	109.4764	0.001	9	109.5615	0.213	44	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CH3)(H){4|C<3>,4|H<1>}	H(CC[5]HH)	109.4850	0.030	2	109.4850	0.001	2	109.5615	0.213	44	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(CH3)(H){2|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4440	0.025	3	109.4440	0.001	3	109.5615	0.213	44	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CC[5]HH)	109.5320	0.047	3	109.4951	0.002	9	109.5615	0.213	44	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]O[5]H)(H)3	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(CC[5]HH)	109.4767	0.032	6	109.4951	0.002	9	109.5615	0.213	44	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]S[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(S[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]S[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(S[5]C[5])(CH3)(H){2|C<4>,3|H<1>}	H(CC[5]HH)	109.4720	0.048	3	109.4720	0.002	3	109.4720	0.002	3	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CH3)(H){1|S<1>,2|C<3>}	H(CC[5]HH)	110.6017	2.153	3	110.6017	4.637	3	109.5902	0.454	29	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]HH)(N[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]HH)(N[5]C[5])(CH3)(H){1|C<4>,1|N<3>}	H(CC[5]HH)	109.4885	0.034	4	109.4885	0.001	4	109.5902	0.454	29	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]CH)(N[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]CH)(N[5]C[5])(CH3)(H){1|O<2>}	H(CC[5]HH)	109.4630	0.010	3	109.4630	0.000	3	109.5902	0.454	29	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H){1|C<3>}	H(CC[5]HH)	109.4777	0.038	11	109.4758	0.001	13	109.5902	0.454	29	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H){1|C<4>}	H(CC[5]HH)	109.4655	0.018	2	109.4758	0.001	13	109.5902	0.454	29	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)(H){1|C<4>}	H(CC[5]HH)	109.4637	0.042	6	109.4637	0.002	6	109.5902	0.454	29	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:F-1:	C-4:	C(C[5]C[5]O[5]F)(H)3	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(F)	H(CC[5]HH)	C(C[5]C[5]O[5]F)(H)3	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(F){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4927	0.018	3	109.4927	0.000	3	109.4927	0.000	3	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(CH3)(H){1|H<1>,1|S<4>,2|C<4>}	H(CC[5]HH)	109.4618	0.034	6	109.4618	0.001	6	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(CC[5]HH)	109.5407	0.081	3	109.5407	0.007	3	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4895	0.031	4	109.4895	0.001	4	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>}	H(CC[5]HH)	109.5033	0.048	3	109.5033	0.002	3	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4967	0.032	3	109.4823	0.001	7	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H){2|H<1>,2|O<2>}	H(CC[5]HH)	109.4715	0.023	4	109.4823	0.001	7	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4850	0.021	5	109.4850	0.000	5	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4797	0.046	4	109.4797	0.002	4	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4744	0.043	16	109.4744	0.002	16	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]2H)(O[5]N[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]2H)(O[5]N[5])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4750	0.052	3	109.4750	0.003	3	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]CC)(O[5]C[5,5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]CC)(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4653	0.053	3	109.4653	0.003	3	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4729	0.023	11	109.4729	0.001	11	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4313	0.017	3	109.4718	0.004	9	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	H(CC[5]HH)	109.5190	0.082	3	109.4718	0.004	9	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4650	0.047	3	109.4718	0.004	9	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4590	0.027	3	109.4707	0.001	6	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H){4|H<1>}	H(CC[5]HH)	109.4823	0.032	3	109.4707	0.001	6	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.5110	0.011	2	109.5110	0.000	2	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4357	0.052	3	109.4649	0.001	17	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4677	0.030	11	109.4649	0.001	17	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|O<1>,2|N<3>}	H(CC[5]HH)	109.4837	0.038	3	109.4649	0.001	17	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	H(CC[5]HH)	109.5060	0.047	3	110.0477	0.660	8	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	110.3728	0.895	5	110.0477	0.660	8	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|Br<1>,1|C<3>,1|H<1>}	H(CC[5]HH)	109.4864	0.036	5	109.4269	0.906	43	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4730	0.000	1	109.4269	0.906	43	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4667	0.013	3	109.4269	0.906	43	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4627	0.016	3	109.4269	0.906	43	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|S<4>,2|H<1>}	H(CC[5]HH)	109.4710	0.004	2	109.4269	0.906	43	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,2|H<1>}	H(CC[5]HH)	108.3085	1.487	6	109.4269	0.906	43	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,1|O<2>}	H(CC[5]HH)	109.4517	0.020	3	109.4269	0.906	43	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,1|S<2>}	H(CC[5]HH)	111.3430	2.042	3	109.4269	0.906	43	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4647	0.012	3	109.4269	0.906	43	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4570	0.018	5	109.4269	0.906	43	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,1|O<2>}	H(CC[5]HH)	109.3147	0.074	3	109.4269	0.906	43	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|Re<6>,2|H<1>}	H(CC[5]HH)	109.4813	0.074	3	109.4269	0.906	43	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|Ru<9>,2|H<1>}	H(CC[5]HH)	109.4730	0.044	3	109.4269	0.906	43	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HN)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HN)(O[5]C[5])(CH3)(H){1|O<1>,2|H<1>}	H(CC[5]HH)	109.4560	0.004	2	109.4560	0.000	2	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HN)(O[5]N[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HN)(O[5]N[5])(CH3)(H){1|O<1>}	H(CC[5]HH)	109.9083	0.130	3	109.9083	0.017	3	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4670	0.000	1	109.3890	0.455	34	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4353	0.033	3	109.3890	0.455	34	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,2|O<2>}	H(CC[5]HH)	108.8162	1.072	6	109.3890	0.455	34	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|I<1>,2|H<1>}	H(CC[5]HH)	109.4305	0.016	2	109.3890	0.455	34	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,1|S<3>}	H(CC[5]HH)	109.4817	0.013	3	109.3890	0.455	34	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	H(CC[5]HH)	109.9363	1.768	3	109.3890	0.455	34	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,1|S<2>}	H(CC[5]HH)	109.4403	0.012	3	109.3890	0.455	34	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4783	0.033	3	109.3890	0.455	34	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){2|C<4>,2|H<1>}	H(CC[5]HH)	109.4830	0.023	5	109.3890	0.455	34	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){2|H<1>,2|O<2>}	H(CC[5]HH)	109.4538	0.032	5	109.3890	0.455	34	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	H(CC[5]HH)	109.4695	0.015	2	109.4695	0.000	2	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4658	0.328	21	109.4658	0.108	21	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CH3)(H){1|H<1>,4|C<3>}	H(CC[5]HH)	109.4562	0.018	6	109.4562	0.000	6	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4850	0.017	5	109.4850	0.000	5	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5,5]CH)(O[5]C[3x5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5,5]CH)(O[5]C[3x5])(CH3)(H){1|C<3>,2|C<4>}	H(CC[5]HH)	108.3800	0.413	2	108.3800	0.171	2	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(CH3)(H){1|C<3>,2|C<4>}	H(CC[5]HH)	109.4600	0.527	3	109.4600	0.277	3	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(CH3)(H){1|B<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4745	0.018	4	109.4745	0.000	4	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5,5a]HH)(O[5]C[5,5a])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5,5a]HH)(O[5]C[5,5a])(CH3)(H){1|C<3>,1|N<2>}	H(CC[5]HH)	109.4800	0.020	3	109.4800	0.000	3	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4928	0.044	6	109.4928	0.002	6	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5,5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5,5])(CH3)(H){3|C<3>}	H(CC[5]HH)	109.4523	0.039	3	109.4523	0.001	3	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4657	0.023	3	109.4698	0.002	49	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4853	0.026	6	109.4698	0.002	49	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<4>}	H(CC[5]HH)	109.4679	0.066	19	109.4698	0.002	49	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|Cu<5>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4706	0.054	5	109.4698	0.002	49	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>}	H(CC[5]HH)	109.4750	0.027	3	109.4698	0.002	49	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|Ru<6>,1|H<1>}	H(CC[5]HH)	109.4600	0.049	5	109.4698	0.002	49	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|Ru<6>,3|H<1>}	H(CC[5]HH)	109.4680	0.069	2	109.4698	0.002	49	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|S<4>,2|C<4>}	H(CC[5]HH)	109.4543	0.022	3	109.4698	0.002	49	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|S<4>,2|H<1>}	H(CC[5]HH)	109.4820	0.009	3	109.4698	0.002	49	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]HH)(O[5]C[5,5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]HH)(O[5]C[5,5])(CH3)(H){3|C<3>}	H(CC[5]HH)	109.4660	0.049	3	109.4660	0.002	3	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]HH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]HH)(O[5]C[5])(CH3)(H){1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4955	0.026	2	109.4955	0.001	2	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(H){1|C<3>,2|O<1>}	H(CC[5]HH)	109.4553	0.012	3	109.4553	0.000	3	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(H){2|C<4>}	H(CC[5]HH)	109.4480	0.033	3	109.4480	0.001	3	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]B[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]B[5])(CH3)(H){1|C<3>}	H(CC[5]HH)	109.4804	0.033	5	109.4804	0.001	5	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]C[5,5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]C[5,5])(CH3)(H){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4090	0.221	5	109.4090	0.049	5	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4900	0.016	5	109.4776	0.001	14	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H){2|C<4>}	H(CC[5]HH)	109.4707	0.026	9	109.4776	0.001	14	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4956	0.675	8	109.6374	1.376	36	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4937	0.018	3	109.6374	1.376	36	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|O<1>}	H(CC[5]HH)	109.4718	0.007	4	109.6374	1.376	36	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|Re<6>,1|C<3>,1|H<1>}	H(CC[5]HH)	109.4713	0.427	3	109.6374	1.376	36	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){2|C<4>}	H(CC[5]HH)	109.7889	1.605	18	109.6374	1.376	36	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]P[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]P[5])(CH3)(H){1|O<1>,1|O<2>}	H(CC[5]HH)	109.4998	0.043	6	109.4998	0.002	6	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]HH)(O[5]C[5,6])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]HH)(O[5]C[5,6])(CH3)(H){2|C<4>}	H(CC[5]HH)	109.4899	0.037	17	109.4899	0.001	17	109.4858	0.301	387	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-1:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5,5,6]HO)(O[5]C[5,6])(CH3)(O)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5,5,6]HO)(O[5]C[5,6])(CH3)(O){1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.4693	0.027	3	109.4693	0.001	3	109.4693	0.001	3	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(H)3	C[5](C[5]C[5]HN)(S[5]S[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]S[5]H)(H)3	C[5](C[5]C[5]HN)(S[5]S[5])(CH3)(H){2|H<1>}	H(CC[5]HH)	109.5190	0.023	4	109.5190	0.001	4	109.5065	0.001	12	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(H)3	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]S[5]H)(H)3	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)(H){1|C<4>,1|S<1>}	H(CC[5]HH)	109.5130	0.044	2	109.5124	0.001	5	109.5065	0.001	12	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(H)3	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]S[5]H)(H)3	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)(H){1|H<1>,1|S<1>}	H(CC[5]HH)	109.5120	0.028	3	109.5124	0.001	5	109.5065	0.001	12	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(H)3	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]S[5]H)(H)3	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)(H){1|S<2>}	H(CC[5]HH)	109.4800	0.050	3	109.4800	0.003	3	109.5065	0.001	12	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(H)2(I)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H)	H(CC[5]HI)	C(C[5]C[5,5]O[5]H)(H)2(I)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H){1|O<1>,2|C<3>,2|C<4>}	H(CC[5]HI)	109.0135	0.083	4	109.1510	0.050	6	109.1510	0.050	6	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(H)2(I)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H)	H(CC[5]HI)	C(C[5]C[5,5]O[5]H)(H)2(I)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H){1|O<1>,2|C<4>,3|H<1>}	H(CC[5]HI)	109.4260	0.018	2	109.1510	0.050	6	109.1510	0.050	6	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(H)2(I)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHI)(H)	H(CC[5]HI)	C(C[5]C[5,6]O[5]H)(H)2(I)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHI)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]HI)	108.4270	0.008	2	108.4270	0.000	2	108.4270	0.000	2	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)2(I)	C[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(CHHI)(H)	H(CC[5]HI)	C(C[5]C[5]O[5]H)(H)2(I)	C[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(CHHI)(H){1|H<1>,3|C<4>}	H(CC[5]HI)	109.3344	0.261	7	109.3344	0.068	7	110.5398	21.642	14	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)2(I)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHI)(H)	H(CC[5]HI)	C(C[5]C[5]O[5]H)(H)2(I)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHI)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HI)	109.1615	0.069	2	109.1615	0.005	2	110.5398	21.642	14	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)2(I)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(H)	H(CC[5]HI)	C(C[5]C[5]O[5]H)(H)2(I)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(H){1|C<3>,1|O<1>,1|O<2>}	H(CC[5]HI)	109.2470	0.000	1	109.2470	0.000	1	110.5398	21.642	14	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)2(I)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHI)(H)	H(CC[5]HI)	C(C[5]C[5]O[5]H)(H)2(I)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHI)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HI)	110.0370	0.016	2	110.0370	0.000	2	110.5398	21.642	14	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)2(I)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHI)(H)	H(CC[5]HI)	C(C[5]C[5]O[5]H)(H)2(I)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHI)(H){1|H<1>,1|O<2>,2|C<3>}	H(CC[5]HI)	117.2860	13.182	2	117.2860	173.762	2	110.5398	21.642	14	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)2(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(H)2(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	H(CC[5]HO)	108.7237	0.217	4	109.5577	1.871	14	109.5577	1.871	14	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)2(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(H)2(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<1>,2|H<1>}	H(CC[5]HO)	112.2155	0.306	2	109.5577	1.871	14	109.5577	1.871	14	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:1:	4:	C[5]-4:H-1:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)2(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(H)2(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	109.3102	0.978	8	109.5577	1.871	14	109.5577	1.871	14	109.5320	0.881	684	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(Br)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(OC)	H(CC[5]BrH)	C(C[5]C[5]O[5]O)(Br)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(OC){4|H<1>}	H(CC[5]BrH)	109.2095	0.005	2	109.2095	0.000	2	109.1405	0.006	4	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(Br)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(OC[6])	H(CC[5]BrH)	C(C[5]C[5]O[5]O)(Br)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(OC[6]){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]BrH)	109.0715	0.009	2	109.0715	0.000	2	109.1405	0.006	4	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(Cl)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6])	H(CC[5]ClH)	C(C[5]C[5]O[5]O)(Cl)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6]){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]ClH)	109.1268	0.111	8	109.1268	0.012	8	109.1268	0.012	8	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:F-1:F-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(F)2(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CFFH)(OH)	H(CC[5]FF)	C(C[5]C[5]O[5]O)(F)2(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CFFH)(OH){2|C<4>}	H(CC[5]FF)	109.9770	0.000	1	109.9770	0.000	1	109.9770	0.000	1	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5,5]O[5]O)(H)3	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5,6])(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,5]O[5]O)(H)3	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5,6])(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4670	0.000	1	109.4670	0.000	1	109.6445	0.409	36	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5,5]O[5]O)(H)3	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,5]O[5]O)(H)3	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(CH3)(OH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4974	0.049	5	109.4974	0.002	5	109.6445	0.409	36	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5,5]O[5]O)(H)3	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,5]O[5]O)(H)3	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HH)	111.0603	0.931	3	111.0603	0.866	3	109.6445	0.409	36	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5,5]O[5]O)(H)3	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5,5]O[5]O)(H)3	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HH)	109.4623	0.030	3	109.5210	0.232	27	109.6445	0.409	36	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5,5]O[5]O)(H)3	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5,5]O[5]O)(H)3	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC){1|O<1>,2|C<3>}	H(CC[5]HH)	109.4567	0.023	3	109.5210	0.232	27	109.6445	0.409	36	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5,5]O[5]O)(H)3	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5,5]O[5]O)(H)3	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC){1|O<1>,2|C<4>}	H(CC[5]HH)	109.5386	0.547	21	109.5210	0.232	27	109.6445	0.409	36	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5,6]O[5]O)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5,6]O[5]O)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(CH3)(OC){2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4950	0.031	3	109.4950	0.001	3	109.4813	0.001	8	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5,6]O[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]O[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)(OH){3|H<1>,4|C<4>}	H(CC[5]HH)	109.4730	0.023	5	109.4730	0.001	5	109.4813	0.001	8	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(H)3	C[5](C[5]C[5,5]HH)(N[5]C[5])(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]N[5]O)(H)3	C[5](C[5]C[5,5]HH)(N[5]C[5])(CH3)(OH){1|C<3>,2|C<4>}	H(CC[5]HH)	109.4710	0.021	3	109.4710	0.000	3	109.4736	0.001	9	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(H)3	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]N[5]O)(H)3	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CH3)(OH){1|C<3>,1|C<4>,1|O<2>}	H(CC[5]HH)	109.4748	0.034	6	109.4748	0.001	6	109.4736	0.001	9	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:N-2:	C-4:	C(C[5]C[5]O[5]N)(H)3	C[5](C[5]C[5,5]CH)(O[5]N[5,5])(CH3)(NN)	H(CC[5]HH)	C(C[5]C[5]O[5]N)(H)3	C[5](C[5]C[5,5]CH)(O[5]N[5,5])(CH3)(NN){1|H<1>,2|C<4>}	H(CC[5]HH)	109.4310	0.017	2	109.4310	0.000	2	109.4310	0.000	2	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3)(OH){1|C<4>,1|N<3>,2|C<3>}	H(CC[5]HH)	109.4740	0.004	2	109.4740	0.000	2	109.6526	1.585	73	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OC){1|H<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4577	0.033	9	109.4577	0.001	9	109.6526	1.585	73	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4543	0.013	3	109.4700	0.002	9	109.6526	1.585	73	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4778	0.054	6	109.4700	0.002	9	109.6526	1.585	73	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]CH)(O[5]O[5])(CH3)(OO)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]CH)(O[5]O[5])(CH3)(OO){1|O<1>}	H(CC[5]HH)	109.4982	0.030	6	109.4982	0.001	6	109.6526	1.585	73	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(OH){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4423	0.037	3	109.4423	0.001	3	109.6526	1.585	73	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(OH){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4620	0.030	2	109.4620	0.001	2	109.6526	1.585	73	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(OO)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(OO){2|C<4>,2|H<1>}	H(CC[5]HH)	108.3653	0.966	3	108.3653	0.933	3	109.6526	1.585	73	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OC){1|O<1>,2|H<1>}	H(CC[5]HH)	109.4885	0.009	2	109.4885	0.000	2	109.6526	1.585	73	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OH){2|C<3>,2|H<1>}	H(CC[5]HH)	115.3737	1.299	3	115.3737	1.687	3	109.6526	1.585	73	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]HH)(O[5]O[5])(CH3)(OO)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]C[5]HH)(O[5]O[5])(CH3)(OO){1|C<4>,1|O<2>}	H(CC[5]HH)	109.4374	0.030	5	109.4374	0.001	5	109.6526	1.585	73	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC){1|C<3>,1|O<1>}	H(CC[5]HH)	109.3822	0.482	12	109.4357	0.117	27	109.6526	1.585	73	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC){1|C<4>,1|O<1>}	H(CC[5]HH)	109.4785	0.171	15	109.4357	0.117	27	109.6526	1.585	73	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(OC){1|O<1>}	H(CC[5]HH)	109.4795	0.026	2	109.4795	0.001	2	109.6526	1.585	73	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:2:	4:	C[5]-4:H-1:I-1:I-1:	C[5]-4:N[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(H)(I)2	C[5](C[5]N[5]HH)(N[5]C[5])(CHII)(OH)	H(CC[5]II)	C(C[5]C[5]N[5]O)(H)(I)2	C[5](C[5]N[5]HH)(N[5]C[5])(CHII)(OH){1|C<3>,1|S<4>}	H(CC[5]II)	107.0880	0.000	1	107.0880	0.000	1	107.0880	0.000	1	109.5666	0.979	142	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5,5,6]O[5]C)(H)3	C[5](C[5,5,6]C[5,6]2O[5])(O[5]C[5])(CH3)(CHH)	H(CC[5]HH)	C(C[5]C[5,5,6]O[5]C)(H)3	C[5](C[5,5,6]C[5,6]2O[5])(O[5]C[5])(CH3)(CHH){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(CC[5]HH)	110.7123	0.495	3	110.7123	0.245	3	110.7123	0.245	3	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,5]N[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])(CH3)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[5]HH)	108.9817	1.383	3	108.9817	1.912	3	108.9817	1.912	3	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(CH3)(CCO)	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(CH3)(CCO){1|C<4>,1|H<1>,3|C<3>}	H(CC[5]HH)	109.4747	0.051	3	109.4747	0.003	3	109.4747	0.003	3	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:C-3:	C-4:	C(C[5]C[5,6]N[5]C)(H)3	C[5](C[5,6]C[6,6a]C[6]O[5])(N[5]C[5])(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,6]N[5]C)(H)3	C[5](C[5,6]C[6,6a]C[6]O[5])(N[5]C[5])(CH3)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.5722	1.100	11	109.5722	1.210	11	109.5722	1.210	11	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)(COO){1|O<2>,2|H<1>,4|C<4>}	H(CC[5]HH)	109.4663	0.010	3	109.4663	0.000	3	109.4620	0.000	5	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(CC[5]HH)	109.4700	0.000	1	109.4700	0.000	1	109.4620	0.000	5	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CH3)(COO){1|O<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4410	0.000	1	109.4410	0.000	1	109.4620	0.000	5	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]CH)(N[5]C[5])(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]CH)(N[5]C[5])(CH3)(COO){1|H<1>,2|C<3>}	H(CC[5]HH)	109.1283	2.909	3	109.1283	8.461	3	109.3597	2.146	9	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)(CCH){1|C<3>,2|H<1>}	H(CC[5]HH)	109.4710	0.046	3	109.4710	0.002	3	109.3597	2.146	9	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)(COO){1|C<2>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4797	0.026	3	109.4797	0.001	3	109.3597	2.146	9	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(CH3)(CCH){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4777	0.012	3	109.4777	0.000	3	109.4901	0.034	32	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(COO){2|C<4>,2|H<1>}	H(CC[5]HH)	109.4780	0.000	1	109.4780	0.000	1	109.4901	0.034	32	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4618	0.023	6	109.4618	0.001	6	109.4901	0.034	32	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CCH){1|O<1>,2|H<1>}	H(CC[5]HH)	109.4780	0.004	2	109.4780	0.000	2	109.4901	0.034	32	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CNO)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CNO){1|O<2>,3|H<1>}	H(CC[5]HH)	109.7347	0.518	3	109.7347	0.268	3	109.4901	0.034	32	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(CCH){1|C<4>,3|C<3>}	H(CC[5]HH)	109.4910	0.011	2	109.4910	0.000	2	109.4901	0.034	32	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CH3)(COO){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4613	0.017	3	109.4613	0.000	3	109.4901	0.034	32	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]O[5]H)(O[5]P[5])(CH3)(CCO)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]O[5]H)(O[5]P[5])(CH3)(CCO){2|C<3>,3|O<2>}	H(CC[5]HH)	109.4553	0.008	3	109.4553	0.000	3	109.4901	0.034	32	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(CNO)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(CNO){1|C<3>,2|O<1>}	H(CC[5]HH)	109.4637	0.194	3	109.4637	0.037	3	109.4901	0.034	32	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(COO){1|C<3>,2|O<1>}	H(CC[5]HH)	109.4470	0.351	3	109.4470	0.123	3	109.4901	0.034	32	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(COO){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4587	0.028	3	109.4587	0.001	3	109.4901	0.034	32	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CH3)(CNO)	H(CC[5]HH)	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CH3)(CNO){1|S<1>,3|C<3>}	H(CC[5]HH)	109.4703	0.012	3	109.4703	0.000	3	109.4703	0.000	3	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5,6a]CdH)(O[5]C[5,6a])(CH3)(CCN)	H(CC[5]HH)	C(C[5]N[5]O[5]C)(H)3	C[5](N[5]C[5,6a]CdH)(O[5]C[5,6a])(CH3)(CCN){2|C<3>}	H(CC[5]HH)	109.4315	0.025	2	109.4315	0.001	2	109.4315	0.001	2	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]O[5]P[5]C)(H)3	C[5](P[5]C[5]OO)(O[5]C[5])(CH3)(COO)	H(CC[5]HH)	C(C[5]O[5]P[5]C)(H)3	C[5](P[5]C[5]OO)(O[5]C[5])(CH3)(COO){1|C<4>,1|O<1>,1|O<2>}	H(CC[5]HH)	109.4725	0.016	2	109.4725	0.000	2	109.4725	0.000	2	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:3:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:S[5]-2:C-4:N-3:	C-4:	C(C[5]P[5]S[5]N)(H)3	C[5](P[5]C[5,6a]C[6a]2)(S[5]C[5,6a])(CH3)(NCH)	H(CC[5]HH)	C(C[5]P[5]S[5]N)(H)3	C[5](P[5]C[5,6a]C[6a]2)(S[5]C[5,6a])(CH3)(NCH){6|C<3>}	H(CC[5]HH)	109.4713	0.305	3	109.4713	0.093	3	109.4713	0.093	3	109.5087	0.537	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:Br-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(Br)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CBrHH)(CH3)	H(CC[5]BrH)	C(C[5]C[5,6]O[5]C)(Br)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CBrHH)(CH3){2|C<3>,5|H<1>}	H(CC[5]BrH)	109.1590	0.038	2	109.1590	0.001	2	109.1590	0.001	2	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(Br)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CC3)	H(CC[5]BrH)	C(C[5]C[5]O[5]C)(Br)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CC3){1|O<1>,2|H<1>}	H(CC[5]BrH)	109.2800	0.025	2	109.2800	0.001	2	109.1077	0.091	6	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(Br)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CHHN)	H(CC[5]BrH)	C(C[5]C[5]O[5]C)(Br)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CHHN){1|H<1>,3|C<3>}	H(CC[5]BrH)	109.0215	0.348	4	109.0215	0.121	4	109.1077	0.091	6	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:Cl-1:Cl-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(Cl)2(H)	C[5](C[5]C[6]N[5]H)(O[5]C[5])(CCl2H)(CH3)	H(CC[5]Cl2)	C(C[5]C[5]O[5]C)(Cl)2(H)	C[5](C[5]C[6]N[5]H)(O[5]C[5])(CCl2H)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(CC[5]Cl2)	108.2535	0.132	2	108.2535	0.017	2	108.2535	0.017	2	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:S[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]S[5]C)(Cl)(H)2	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CClHH)(CH3)	H(CC[5]ClH)	C(C[5]C[5]S[5]C)(Cl)(H)2	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CClHH)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]ClH)	109.2255	0.042	2	109.2255	0.002	2	109.2255	0.002	2	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[3,5]O[5]C)(H)3	C[5](C[3,5]C[3,5,6]C[3]H)(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[3,5]O[5]C)(H)3	C[5](C[3,5]C[3,5,6]C[3]H)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(CC[5]HH)	109.4800	0.025	4	109.4800	0.001	4	109.4800	0.001	4	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[4,5,5]O[5]C)(H)3	C[5](C[4,5,5]C[4,5,6]C[4,5]O[5])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[4,5,5]O[5]C)(H)3	C[5](C[4,5,5]C[4,5,6]C[4,5]O[5])(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,4|C<4>}	H(CC[5]HH)	109.9042	1.285	6	109.9042	1.650	6	109.9042	1.650	6	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5,6,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[4,5,6,6]O[5]C)(H)3	C[5](C[4,5,6,6]C[4,5,6]C[4,6,6]O[6,6])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[4,5,6,6]O[5]C)(H)3	C[5](C[4,5,6,6]C[4,5,6]C[4,6,6]O[6,6])(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(CC[5]HH)	110.4213	1.008	6	110.4213	1.016	6	110.4213	1.016	6	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[4,5]O[5]C)(H)3	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[4,5]O[5]C)(H)3	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(CC[5]HH)	109.4844	0.045	7	109.4844	0.002	7	109.4844	0.002	7	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5,6]O[5]C)(H)3	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[4,5,5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5,6]O[5]C)(H)3	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[4,5,5,6])(CH3)2{1|Br<1>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.4438	0.022	5	109.4438	0.000	5	109.4438	0.000	5	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5])(CCHH)(CH3){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4830	0.035	5	109.4830	0.001	5	109.4705	0.001	71	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4482	0.038	5	109.4482	0.001	5	109.4705	0.001	71	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(CC[5]HH)	109.4762	0.030	5	109.4762	0.001	5	109.4705	0.001	71	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4500	0.017	3	109.4500	0.000	3	109.4705	0.001	71	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4957	0.021	3	109.4736	0.001	5	109.4705	0.001	71	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4405	0.011	2	109.4736	0.001	5	109.4705	0.001	71	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4626	0.023	5	109.4626	0.001	5	109.4705	0.001	71	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4684	0.024	7	109.4684	0.001	7	109.4705	0.001	71	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CCHH)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4813	0.021	3	109.4813	0.000	3	109.4705	0.001	71	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(CC[5]HH)	109.4650	0.008	2	109.4763	0.001	9	109.4705	0.001	71	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(CC[5]HH)	109.4772	0.045	4	109.4763	0.001	9	109.4705	0.001	71	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2{1|O<2>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4827	0.014	3	109.4763	0.001	9	109.4705	0.001	71	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(CH3)2{1|C<4>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4828	0.057	5	109.4736	0.002	10	109.4705	0.001	71	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(CH3)2{1|O<1>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4644	0.033	5	109.4736	0.002	10	109.4705	0.001	71	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(CC[5]HH)	109.4728	0.020	4	109.4774	0.001	9	109.4705	0.001	71	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)2{1|O<1>,3|H<1>,4|C<3>}	H(CC[5]HH)	109.4812	0.028	5	109.4774	0.001	9	109.4705	0.001	71	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]O[5]C)(H)3	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(CH3)2{1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4594	0.045	5	109.4594	0.002	5	109.4705	0.001	71	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:S[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]S[5]C)(H)3	C[5](C[5,5]C[4,5,5]C[5]H)(S[5]C[4,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]S[5]C)(H)3	C[5](C[5,5]C[4,5,5]C[5]H)(S[5]C[4,5])(CH3)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(CC[5]HH)	110.6462	1.985	6	110.6462	3.941	6	110.6462	3.941	6	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6,6]O[5]C)(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6,6]O[5]C)(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{2|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4563	0.025	4	109.4563	0.001	4	109.4697	0.001	48	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6,6]O[5]C)(H)3	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,5,3x6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6,6]O[5]C)(H)3	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,5,3x6])(CH3)2{1|O<2>,2|H<1>,4|C<4>}	H(CC[5]HH)	109.4726	0.024	5	109.4726	0.001	5	109.4697	0.001	48	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6,6]O[5]C)(H)3	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6,6]O[5]C)(H)3	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.4695	0.046	20	109.4707	0.002	39	109.4697	0.001	48	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6,6]O[5]C)(H)3	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6,6]O[5]C)(H)3	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4718	0.034	19	109.4707	0.002	39	109.4697	0.001	48	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5,6,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5,6,6])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	H(CC[5]HH)	109.4500	0.033	4	109.4500	0.001	4	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CC[5]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CC[5]HO)(CH3){3|H<1>,4|C<4>}	H(CC[5]HH)	109.5065	0.008	2	109.5065	0.000	2	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(CH3)2{1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4822	0.040	29	109.4822	0.002	29	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4648	0.037	6	109.4692	0.002	18	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2{1|C<3>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4673	0.043	4	109.4692	0.002	18	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2{3|H<1>,4|C<4>}	H(CC[5]HH)	109.4735	0.054	8	109.4692	0.002	18	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CH3){3|C<4>,4|H<1>}	H(CC[5]HH)	111.5578	2.388	6	111.5578	5.700	6	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4447	0.022	4	109.4358	0.150	22	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CH3)2{3|C<4>,4|H<1>}	H(CC[5]HH)	109.4338	0.431	18	109.4358	0.150	22	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)2{3|H<1>,4|C<3>}	H(CC[5]HH)	110.3120	1.673	6	110.3120	2.799	6	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4735	0.043	11	109.4743	0.001	66	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	H(CC[5]HH)	109.4757	0.026	42	109.4743	0.001	66	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{3|C<4>,4|H<1>}	H(CC[5]HH)	109.4705	0.048	13	109.4743	0.001	66	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4705	0.041	8	109.4705	0.002	8	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CBrHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CBrHH)(CH3){2|C<3>,5|H<1>}	H(CC[5]HH)	109.4800	0.011	2	109.4800	0.000	2	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	H(CC[5]HH)	109.4740	0.040	5	109.4740	0.002	5	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4930	0.039	3	109.4718	0.001	9	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4612	0.035	6	109.4718	0.001	9	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4648	0.033	6	109.4778	0.001	12	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4908	0.040	6	109.4778	0.001	12	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(CC[5]HH)	109.4805	0.051	6	109.4735	0.001	16	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{1|C<3>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.4658	0.019	5	109.4735	0.001	16	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{2|C<3>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.4728	0.022	5	109.4735	0.001	16	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4783	0.038	4	109.4704	0.001	25	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{1|C<4>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4583	0.033	11	109.4704	0.001	25	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]O[5]C)(H)3	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{2|H<1>,3|C<4>}	H(CC[5]HH)	109.4806	0.040	10	109.4704	0.001	25	109.5468	0.327	230	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:S[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]S[5]C)(H)3	C[5](C[5,6]N[5,6]N[6]H)(S[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]S[5]C)(H)3	C[5](C[5,6]N[5,6]N[6]H)(S[5]C[5])(CH3)2{2|C<3>,3|C<4>}	H(CC[5]HH)	109.4603	0.019	3	109.4603	0.000	3	109.4667	0.000	6	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:S[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]S[5]C)(H)3	C[5](C[5,6]N[5,6]O[6]H)(S[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]S[5]C)(H)3	C[5](C[5,6]N[5,6]O[6]H)(S[5]C[5])(CH3)2{2|C<3>,2|C<4>}	H(CC[5]HH)	109.4730	0.021	3	109.4730	0.000	3	109.4667	0.000	6	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5,6]HH)(N[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5,6]HH)(N[5]C[5])(CH3)2{1|Si<4>,2|C<4>}	H(CC[5]HH)	109.4638	0.025	6	109.4638	0.001	6	109.3496	1.549	326	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	108.5739	2.976	40	109.0915	4.856	82	109.3496	1.549	326	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2{1|C<3>,1|O<2>}	H(CC[5]HH)	109.4722	0.727	33	109.0915	4.856	82	109.3496	1.549	326	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2{1|C<4>,1|O<2>}	H(CC[5]HH)	109.4757	0.024	3	109.0915	4.856	82	109.3496	1.549	326	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2{1|N<3>,1|O<1>}	H(CC[5]HH)	110.2568	1.175	6	109.0915	4.856	82	109.3496	1.549	326	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CH)(N[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CH)(N[5]C[5])(CH3)2{1|N<3>,1|S<4>}	H(CC[5]HH)	109.4550	0.030	5	109.4550	0.001	5	109.3496	1.549	326	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(CH3){1|C<3>}	H(CC[5]HH)	109.4594	0.056	5	109.4594	0.003	5	109.3496	1.549	326	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5])(CC[5]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5])(CC[5]HO)(CH3){1|C<4>}	H(CC[5]HH)	109.4767	0.051	16	109.4767	0.003	16	109.3496	1.549	326	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2{1|B<4>}	H(CC[5]HH)	109.4642	0.043	50	109.4741	0.405	206	109.3496	1.549	326	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2{1|C<3>}	H(CC[5]HH)	109.4809	0.914	100	109.4741	0.405	206	109.3496	1.549	326	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2{1|C<4>}	H(CC[5]HH)	109.4707	0.036	56	109.4741	0.405	206	109.3496	1.549	326	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)2{1|N<3>}	H(CC[5]HH)	107.9720	1.139	6	107.9720	1.298	6	109.3496	1.549	326	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[3x5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[3x5])(CH3)2{1|C<3>,1|C<4>,2|O<2>}	H(CC[5]HH)	109.4640	0.015	5	109.4640	0.000	5	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CH3)2{1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4636	0.029	30	109.4635	0.001	40	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CH3)2{2|C<4>,2|O<2>}	H(CC[5]HH)	109.4633	0.027	10	109.4635	0.001	40	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4818	0.035	16	109.4818	0.001	16	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	H(CC[5]HH)	109.4675	0.048	4	109.4675	0.002	4	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]HH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]HH)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.4870	0.042	5	109.4870	0.002	5	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6,6]CC)(O[5]C[5,3x6])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6,6]CC)(O[5]C[5,3x6])(CH3)2{1|H<1>,3|C<4>}	H(CC[5]HH)	109.5032	3.033	6	109.5032	9.197	6	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6,6])(CH3)2{1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4385	0.034	4	109.4385	0.001	4	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.5703	0.086	9	109.5703	0.007	9	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CH3)2{2|C<3>}	H(CC[5]HH)	109.4582	0.052	14	109.4582	0.003	14	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]HH)(O[5]O[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]HH)(O[5]O[5])(CCHH)(CH3){2|C<4>}	H(CC[5]HH)	109.4550	0.035	2	109.4550	0.001	2	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CH3)2{2|C<3>}	H(CC[5]HH)	109.4848	0.035	5	109.4848	0.001	5	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)2{2|C<3>}	H(CC[5]HH)	109.4713	0.044	63	109.4713	0.002	63	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]2H)(O[5]C[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]2H)(O[5]C[5,5])(CH3)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(CC[5]HH)	109.4768	0.041	6	109.7574	7.153	18	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]2H)(O[5]C[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]2H)(O[5]C[5,5])(CH3)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(CC[5]HH)	109.8977	3.315	12	109.7574	7.153	18	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4715	0.033	13	109.6728	1.797	78	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4594	0.036	24	109.6728	1.797	78	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|C<4>,1|O<1>,1|O<2>}	H(CC[5]HH)	109.4629	0.036	18	109.6728	1.797	78	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	H(CC[5]HH)	109.4769	0.038	10	109.6728	1.797	78	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|O<1>,2|H<1>}	H(CC[5]HH)	110.9338	3.434	11	109.6728	1.797	78	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{2|C<3>}	H(CC[5]HH)	109.4740	0.004	2	109.6728	1.797	78	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(CH3){1|O<1>,2|H<1>}	H(CC[5]HH)	109.5150	0.046	3	109.5150	0.002	3	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(CH3){1|C<4>,1|O<1>,1|O<2>}	H(CC[5]HH)	109.5020	0.047	3	109.5020	0.002	3	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(CH3){1|O<1>,2|H<1>}	H(CC[5]HH)	109.4615	0.028	2	109.4615	0.001	2	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]B[5])(CH3)2{1|C<3>,1|N<3>}	H(CC[5]HH)	109.1762	1.358	11	109.1762	1.845	11	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4673	0.039	3	109.4673	0.002	3	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2{1|C<3>,1|O<1>,1|O<2>}	H(CC[5]HH)	109.4653	0.041	6	109.4720	0.002	22	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2{1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4746	0.051	16	109.4720	0.002	22	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4727	0.045	3	109.4757	0.002	6	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3){1|C<4>,1|H<1>,2|O<2>}	H(CC[5]HH)	109.4787	0.041	3	109.4757	0.002	6	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CH3){2|C<4>,2|H<1>}	H(CC[5]HH)	109.5110	0.030	2	109.5110	0.001	2	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.4657	0.028	3	109.4592	0.001	4	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4400	0.000	1	109.4592	0.001	4	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4545	0.013	2	109.7296	0.478	20	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<3>,3|H<1>}	H(CC[5]HH)	109.4573	0.105	3	109.7296	0.478	20	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.5180	0.015	3	109.7296	0.478	20	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,3|H<1>}	H(CC[5]HH)	109.8965	0.864	12	109.7296	0.478	20	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4735	0.014	4	109.4735	0.000	4	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HO)(CH3){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4577	0.031	3	109.4577	0.001	3	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2{1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4693	0.035	6	109.4631	0.001	23	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	H(CC[5]HH)	109.4368	0.032	4	109.4631	0.001	23	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2{1|H<1>,1|N<3>,1|O<1>}	H(CC[5]HH)	109.4766	0.031	5	109.4631	0.001	23	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,1|O<2>}	H(CC[5]HH)	109.4633	0.033	8	109.4631	0.001	23	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4690	0.000	1	109.4793	0.001	7	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|N<3>,1|O<1>}	H(CC[5]HH)	109.4977	0.029	3	109.4793	0.001	7	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|N<4>,1|O<1>}	H(CC[5]HH)	109.4643	0.011	3	109.4793	0.001	7	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]N[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]N[5])(CH3)2{1|S<4>}	H(CC[5]HH)	109.4854	0.036	8	109.4834	0.001	13	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]N[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]N[5])(CH3)2{3|C<4>}	H(CC[5]HH)	109.4802	0.030	5	109.4834	0.001	13	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(CH3){1|C<3>}	H(CC[5]HH)	109.4880	0.022	3	109.4880	0.000	3	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){1|C<3>,1|O<2>}	H(CC[5]HH)	109.4693	0.022	4	109.6224	0.476	13	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){1|C<4>,1|O<2>}	H(CC[5]HH)	109.7993	1.035	6	109.6224	0.476	13	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){2|C<4>}	H(CC[5]HH)	109.4727	0.049	3	109.6224	0.476	13	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4947	0.037	3	109.4947	0.001	3	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5,6])(CH3)2{2|C<3>,2|H<1>}	H(CC[5]HH)	109.4865	0.017	4	109.4865	0.000	4	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CH3){1|O<1>,2|H<1>}	H(CC[5]HH)	109.4578	0.035	5	109.4578	0.001	5	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	H(CC[5]HH)	109.4916	0.034	5	109.4897	0.001	11	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2{1|O<1>,2|H<1>}	H(CC[5]HH)	109.4882	0.033	6	109.4897	0.001	11	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4630	0.049	3	109.4638	0.001	6	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4647	0.009	3	109.4638	0.001	6	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]RuC)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]RuC)(O[5]C[5])(CH3)2{1|H<1>,1|N<3>}	H(CC[5]HH)	109.4450	0.031	6	109.4535	0.001	10	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]RuC)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]RuC)(O[5]C[5])(CH3)2{1|H<1>,1|O<1>}	H(CC[5]HH)	109.4663	0.033	4	109.4535	0.001	10	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6]N[5]H)(O[5]C[5])(CCl2H)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6]N[5]H)(O[5]C[5])(CCl2H)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(CC[5]HH)	109.4693	0.012	3	109.4693	0.000	3	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4687	0.018	3	109.4608	0.000	5	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3){2|C<3>,4|H<1>}	H(CC[5]HH)	109.4490	0.016	2	109.4608	0.000	5	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)2{1|O<1>,3|C<3>}	H(CC[5]HH)	109.4761	0.040	13	109.4723	0.001	16	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)2{1|S<1>,3|C<3>}	H(CC[5]HH)	109.4560	0.009	3	109.4723	0.001	16	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[3x5]HH)(O[5]Ge[3x5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[3x5]HH)(O[5]Ge[3x5])(CH3)2{1|Br<1>,2|C<4>,2|O<2>}	H(CC[5]HH)	109.4730	0.018	4	109.4730	0.000	4	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(CH3){1|C<4>,1|O<1>}	H(CC[5]HH)	109.4485	0.009	2	109.4485	0.000	2	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|B<4>}	H(CC[5]HH)	109.4753	0.048	11	109.6409	0.356	217	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.9876	0.811	67	109.6409	0.356	217	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4052	1.043	12	109.6409	0.356	217	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|C<3>}	H(CC[5]HH)	109.6229	0.645	23	109.6409	0.356	217	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|C<4>}	H(CC[5]HH)	109.4646	0.036	16	109.6409	0.356	217	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Fe<5>,1|C<3>}	H(CC[5]HH)	109.4572	0.028	6	109.6409	0.356	217	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Li<4>,1|C<4>}	H(CC[5]HH)	109.4536	0.038	7	109.6409	0.356	217	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Mn<6>,1|B<4>}	H(CC[5]HH)	109.4702	0.032	9	109.6409	0.356	217	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|O<1>,1|P<4>}	H(CC[5]HH)	109.4631	0.036	9	109.6409	0.356	217	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Os<6>,1|C<3>}	H(CC[5]HH)	109.4690	0.032	4	109.6409	0.356	217	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Pd<4>,1|C<3>}	H(CC[5]HH)	109.4703	0.045	15	109.6409	0.356	217	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Pd<4>,1|C<4>}	H(CC[5]HH)	109.4495	0.031	4	109.6409	0.356	217	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Re<6>,1|B<4>}	H(CC[5]HH)	109.4756	0.064	12	109.6409	0.356	217	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Zn<4>,1|B<4>}	H(CC[5]HH)	109.4659	0.032	18	109.6409	0.356	217	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Zn<4>,1|C<3>}	H(CC[5]HH)	109.4800	0.021	4	109.6409	0.356	217	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[3,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[3,5])(CH3)2{1|Nb<6>,1|N<3>}	H(CC[5]HH)	109.4739	0.039	9	109.4739	0.002	9	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[3x5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[3x5])(CH3)2{1|C<4>,1|N<4>}	H(CC[5]HH)	109.4705	0.045	10	109.4705	0.002	10	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<3>,1|C<4>}	H(CC[5]HH)	109.4650	0.029	7	109.6639	2.725	146	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<3>,1|N<3>}	H(CC[5]HH)	109.4658	0.051	9	109.6639	2.725	146	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<3>,1|N<4>}	H(CC[5]HH)	109.9965	2.697	54	109.6639	2.725	146	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<3>,1|O<2>}	H(CC[5]HH)	109.4695	0.008	2	109.6639	2.725	146	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<4>,1|N<3>}	H(CC[5]HH)	109.4647	0.007	3	109.6639	2.725	146	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<4>,1|O<2>}	H(CC[5]HH)	109.4718	0.049	24	109.6639	2.725	146	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|Mg<5>,1|C<3>,1|N<3>}	H(CC[5]HH)	109.4622	0.044	4	109.6639	2.725	146	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|Mg<5>,1|O<2>,1|O<3>}	H(CC[5]HH)	109.4588	0.045	18	109.6639	2.725	146	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|N<3>,1|O<2>}	H(CC[5]HH)	109.4775	0.045	15	109.6639	2.725	146	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{2|O<2>}	H(CC[5]HH)	109.4749	0.041	10	109.6639	2.725	146	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,6])(CH3)2{1|C<3>,1|N<3>}	H(CC[5]HH)	109.4820	0.036	8	110.1114	1.098	24	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,6])(CH3)2{1|C<4>,1|O<2>}	H(CC[5]HH)	110.7453	1.191	12	110.1114	1.098	24	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,6])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,6])(CH3)2{1|N<3>,1|O<2>}	H(CC[5]HH)	109.4685	0.005	4	110.1114	1.098	24	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Al<4>}	H(CC[5]HH)	109.4631	0.022	7	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<3>,1|C<3>}	H(CC[5]HH)	109.4666	0.035	8	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<3>}	H(CC[5]HH)	109.7772	1.393	28	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<4>}	H(CC[5]HH)	109.4732	0.031	30	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<6>}	H(CC[5]HH)	109.4710	0.008	3	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<2>}	H(CC[5]HH)	109.4621	0.046	17	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>,1|F<1>}	H(CC[5]HH)	109.4720	0.004	2	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>,1|H<1>}	H(CC[5]HH)	109.4662	0.038	9	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>,1|N<4>}	H(CC[5]HH)	109.4920	0.053	9	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>,1|O<2>}	H(CC[5]HH)	109.4809	0.039	8	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	H(CC[5]HH)	109.4960	0.451	1826	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	H(CC[5]HH)	109.5199	0.587	861	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Co<5>,1|C<3>}	H(CC[5]HH)	109.4702	0.055	4	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Co<5>}	H(CC[5]HH)	109.4674	0.026	13	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Co<6>,2|O<2>}	H(CC[5]HH)	109.4490	0.072	5	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Co<6>}	H(CC[5]HH)	109.4674	0.021	11	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Cu<4>,2|O<2>}	H(CC[5]HH)	109.4476	0.047	5	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Fe<4>}	H(CC[5]HH)	109.4545	0.044	10	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Fe<5>}	H(CC[5]HH)	109.4486	0.030	5	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ge<4>}	H(CC[5]HH)	109.4691	0.064	13	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|H<1>,1|N<4>}	H(CC[5]HH)	109.4734	0.050	8	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ir<5>}	H(CC[5]HH)	109.4730	0.050	22	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ir<6>}	H(CC[5]HH)	109.4787	0.055	10	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Li<5>,1|C<4>}	H(CC[5]HH)	109.4690	0.056	5	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Mg<4>,1|C<4>}	H(CC[5]HH)	109.4670	0.019	3	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Mg<4>}	H(CC[5]HH)	109.4697	0.084	17	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Mg<5>,1|H<1>,1|N<3>}	H(CC[5]HH)	109.4846	0.032	5	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Mg<5>,1|O<2>,1|O<3>}	H(CC[5]HH)	109.4710	0.039	5	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Mg<6>,2|H<1>}	H(CC[5]HH)	109.4748	0.065	6	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<2>}	H(CC[5]HH)	109.4645	0.074	15	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	H(CC[5]HH)	109.4715	0.050	277	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|O<2>}	H(CC[5]HH)	109.4716	0.189	177	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|O<3>}	H(CC[5]HH)	109.4849	0.600	14	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Pd<5>}	H(CC[5]HH)	109.4677	0.056	18	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Pt<4>}	H(CC[5]HH)	109.4856	0.045	18	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Rh<5>}	H(CC[5]HH)	109.4761	0.044	8	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Rh<6>}	H(CC[5]HH)	109.4592	0.036	11	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Rh<8>}	H(CC[5]HH)	109.4748	0.029	12	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ru<6>}	H(CC[5]HH)	109.4737	0.042	10	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ru<7>,1|H<2>}	H(CC[5]HH)	109.4854	0.054	9	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ru<7>}	H(CC[5]HH)	109.4466	0.038	8	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ru<8>,1|C<4>}	H(CC[5]HH)	109.4272	0.059	10	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|S<2>}	H(CC[5]HH)	109.4646	0.056	17	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Se<2>}	H(CC[5]HH)	109.4767	0.036	9	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Si<4>}	H(CC[5]HH)	109.4656	0.057	30	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{2|C<3>}	H(CC[5]HH)	109.4764	0.030	8	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{2|C<4>}	H(CC[5]HH)	109.4736	0.020	5	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{2|N<3>}	H(CC[5]HH)	109.4569	0.051	10	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{2|O<2>}	H(CC[5]HH)	109.4775	0.025	8	109.4974	0.203	3629	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]C[5,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]C[5,5])(CH3)2{2|O<2>}	H(CC[5]HH)	109.4736	0.041	8	109.4736	0.002	8	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>}	H(CC[5]HH)	109.4737	0.004	4	109.4737	0.000	4	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2{1|H<1>,1|O<1>}	H(CC[5]HH)	109.5307	2.124	12	109.4662	0.946	56	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2{1|O<1>,1|O<2>}	H(CC[5]HH)	109.4532	0.052	8	109.4662	0.946	56	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2{1|Pd<4>,1|O<1>}	H(CC[5]HH)	109.4513	0.265	15	109.4662	0.946	56	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2{1|Pd<4>,1|O<2>}	H(CC[5]HH)	109.4477	0.344	12	109.4662	0.946	56	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2{1|Re<6>,1|O<2>}	H(CC[5]HH)	109.4412	0.047	9	109.4662	0.946	56	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]Si[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]Si[5])(CH3)2{1|C<3>,1|C<4>}	H(CC[5]HH)	109.4646	0.022	7	109.4646	0.000	7	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(CH3){1|O<1>}	H(CC[5]HH)	109.4780	0.032	3	109.4780	0.001	3	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(CH3){1|O<1>}	H(CC[5]HH)	109.4805	0.045	2	109.4805	0.002	2	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)2{1|O<1>}	H(CC[5]HH)	109.5103	0.707	6	109.5103	0.500	6	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CO)(O[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CO)(O[5]C[5])(CH3)2{1|O<1>}	H(CC[5]HH)	109.4916	0.030	9	109.4916	0.001	9	109.5149	0.358	4610	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]C[5]HO)(S[5]S[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]C[5]HO)(S[5]S[5])(CH3)2{2|H<1>}	H(CC[5]HH)	109.4645	0.013	4	109.4645	0.000	4	109.6298	1.804	45	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CClHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CClHH)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4405	0.029	2	109.4405	0.001	2	109.6298	1.804	45	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[4,5]CH)(S[5]C[4,5])(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4881	0.023	15	109.4881	0.001	15	109.6298	1.804	45	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]CH)(S[5]C[5])(CH3)2{1|C<3>,2|H<1>}	H(CC[5]HH)	109.4860	0.019	4	109.4860	0.000	4	109.6298	1.804	45	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)2{1|C<3>}	H(CC[5]HH)	109.4495	0.017	4	110.1565	8.422	10	109.6298	1.804	45	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]HH)(S[5]C[5])(CH3)2{1|Re<5>,1|H<1>,2|C<4>}	H(CC[5]HH)	110.6278	3.807	6	110.1565	8.422	10	109.6298	1.804	45	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]HO)(S[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]HO)(S[5]C[5])(CH3)2{1|N<2>}	H(CC[5]HH)	109.4870	0.020	5	109.4870	0.000	5	109.6298	1.804	45	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]HS)(S[5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[5]HS)(S[5]C[5])(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4678	0.023	5	109.4678	0.001	5	109.6298	1.804	45	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)2(I)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(CHHI)	H(CC[5]HI)	C(C[5]C[5]O[5]C)(H)2(I)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(CHHI){1|O<1>,2|H<1>}	H(CC[5]HI)	108.3500	0.028	2	108.3500	0.001	2	108.5847	0.074	4	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:2:4:4:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)2(I)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(CH3)	H(CC[5]HI)	C(C[5]C[5]O[5]C)(H)2(I)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(CH3){1|O<1>,2|H<1>}	H(CC[5]HI)	108.8195	0.026	2	108.8195	0.001	2	108.5847	0.074	4	109.5069	0.441	5386	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	H(CC[5]HH)	109.4700	0.022	3	109.4700	0.000	3	109.4700	0.000	3	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:Se-2:C-4:	C-4:	C(C[5]C[5,6]C[5]Se)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SeC[6a])(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]Se)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SeC[6a])(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[5]HH)	109.4740	0.023	2	109.4740	0.001	2	109.4740	0.001	2	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]H)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]H)(O[5]C[5])(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(CC[5]HH)	109.4820	0.042	3	109.4820	0.002	3	110.0320	2.939	30	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C)(O[5]C[5,6a])(CH3){1|N<3>,1|O<1>,4|C<3>}	H(CC[5]HH)	109.4473	0.012	3	109.4473	0.000	3	110.0320	2.939	30	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	H(CC[5]HH)	109.4617	0.054	3	109.4617	0.003	3	110.0320	2.939	30	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|O<1>,3|H<1>}	H(CC[5]HH)	109.4580	0.024	3	110.7359	5.536	12	110.0320	2.939	30	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	111.1619	2.607	9	110.7359	5.536	12	110.0320	2.939	30	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]2H)(C[5]N[5]O)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]2H)(C[5]N[5]O)(O[5]C[5])(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4700	0.034	3	109.4700	0.001	3	110.0320	2.939	30	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(CC[5]HH)	110.9990	0.274	3	110.9990	0.075	3	110.0320	2.939	30	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(CC[5]HH)	108.5163	1.527	3	108.5163	2.332	3	110.0320	2.939	30	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]2S[5])(H)3	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2S[5])(H)3	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3){1|N<3>,1|O<1>,1|S<1>,3|C<3>}	H(CC[5]HH)	109.5027	0.016	3	109.4783	0.001	6	109.4894	0.002	9	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]2S[5])(H)3	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2S[5])(H)3	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3){1|N<3>,1|O<1>,3|C<3>}	H(CC[5]HH)	109.4540	0.035	3	109.4783	0.001	6	109.4894	0.002	9	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]2S[5])(H)3	C[5](C[5]C[5]2H)(C[5]N[5]O)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2S[5])(H)3	C[5](C[5]C[5]2H)(C[5]N[5]O)(S[5]C[5])(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.5117	0.053	3	109.5117	0.003	3	109.4894	0.002	9	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5a]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5a]C[5]O[5])(H)3	C[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]S[5a])(O[5]C[5,6a])(CH3)	H(CC[5]HH)	C(C[5]C[5a]C[5]O[5])(H)3	C[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]S[5a])(O[5]C[5,6a])(CH3){1|H<1>,6|C<3>}	H(CC[5]HH)	109.4715	0.012	2	109.4715	0.000	2	109.4715	0.000	2	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	H(CC[5]HH)	109.4696	0.034	5	109.4696	0.001	5	109.4752	0.001	11	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	H(CC[5]HH)	109.4860	0.010	3	109.4860	0.000	3	109.4752	0.001	11	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(CH3){1|C<4>,3|H<1>,4|C<3>}	H(CC[5]HH)	109.4737	0.016	3	109.4737	0.000	3	109.4752	0.001	11	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6]-4:C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[5]C[6]N[5])(H)3	C[5](C[6]C[6,6a]N[6]H)(C[5]O[5]O)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]C[6]N[5])(H)3	C[5](C[6]C[6,6a]N[6]H)(C[5]O[5]O)(N[5]C[5])(CH3){5|C<3>}	H(CC[5]HH)	109.4849	0.034	9	109.4849	0.001	9	109.4849	0.001	9	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	H(CC[5]HH)	109.4730	0.021	5	109.4730	0.000	5	109.4704	0.000	14	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|O<1>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4690	0.019	9	109.4690	0.000	9	109.4704	0.000	14	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6]-4:C[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5]C[6]S[5])(H)3	C[5](C[6]C[6]2H)(C[5]N[5]O)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]C[6]S[5])(H)3	C[5](C[6]C[6]2H)(C[5]N[5]O)(S[5]C[5])(CH3){1|C<4>,1|S<1>,2|C<3>,4|H<1>}	H(CC[5]HH)	109.4730	0.018	2	109.4730	0.000	2	109.4730	0.000	2	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6]-4:N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[6]N[5]S[5])(H)3	C[5](C[6]C[6]2H)(N[5]N[5]C)(S[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[6]N[5]S[5])(H)3	C[5](C[6]C[6]2H)(N[5]N[5]C)(S[5]C[5])(CH3){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(CC[5]HH)	109.4915	0.025	2	109.4915	0.001	2	109.4915	0.001	2	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:2:4:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[6a]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]O[5]P[5])(H)3	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]Si[5])(CH3)	H(CC[5]HH)	C(C[5]C[6a]O[5]P[5])(H)3	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]Si[5])(CH3){2|C<4>,2|H<1>,7|C<3>}	H(CC[5]HH)	109.4763	0.032	3	109.4763	0.001	3	109.4763	0.001	3	109.6690	1.062	87	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[6a]C[5])(H)3	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[6a]C[5])(H)3	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]C)(CH3){1|C<4>,4|C<3>,5|H<1>}	H(CC[5]HH)	109.4643	0.029	3	109.4643	0.001	3	109.4643	0.001	3	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[6a]N[5])(H)3	C[5](C[5,6]C[6,6a]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[6a]N[5])(H)3	C[5](C[5,6]C[6,6a]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(CH3){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(CC[5]HH)	109.4533	0.044	3	109.4533	0.002	3	109.4533	0.002	3	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]O)(CH3){2|C<4>,2|H<1>}	H(CC[5]HH)	109.4760	0.030	3	109.4760	0.001	3	109.4590	0.001	21	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]H)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4504	0.035	7	109.4504	0.001	7	109.4590	0.001	21	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]H)(CH3){1|C<4>,2|H<1>}	H(CC[5]HH)	109.4610	0.034	3	109.4610	0.001	3	109.4590	0.001	21	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]O)(CH3){1|O<2>,2|H<1>}	H(CC[5]HH)	109.4600	0.033	2	109.4600	0.001	2	109.4590	0.001	21	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3){1|C<4>,1|O<1>}	H(CC[5]HH)	109.4677	0.030	4	109.4592	0.001	6	109.4590	0.001	21	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3){1|C<4>,2|H<1>}	H(CC[5]HH)	109.4420	0.011	2	109.4592	0.001	6	109.4590	0.001	21	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]C)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]C)(C[5]C[5]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(CC[5]HH)	109.4870	0.009	4	109.4870	0.000	4	109.4822	0.000	6	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(C[5]N[5]C)(C[5]N[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(C[5]N[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	H(CC[5]HH)	109.4725	0.015	2	109.4725	0.000	2	109.4822	0.000	6	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:C-4:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCdC)(CH3)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCdC)(CH3){1|N<3>,3|H<1>}	H(CC[5]HH)	109.4127	0.074	3	109.4127	0.005	3	109.4127	0.005	3	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]2N[5])(H)3	C[5](C[5]C[5]N[5]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2N[5])(H)3	C[5](C[5]C[5]N[5]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	H(CC[5]HH)	109.2320	1.678	3	109.2320	2.815	3	109.2320	2.815	3	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:S-3:C-4:	C-4:	C(C[5]C[5]2S)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2S)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a]O)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4847	0.034	3	109.4847	0.001	3	109.4847	0.001	3	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(CH3){4|H<1>,6|C<3>}	H(CC[5]HH)	109.4730	0.008	4	109.4730	0.000	4	109.4730	0.000	4	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CH3){2|H<1>,4|C<3>}	H(CC[5]HH)	109.4683	0.032	3	109.4683	0.001	3	109.4683	0.001	3	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6,6]N[5])(H)3	C[5](C[6,6]C[3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[6,6]N[5])(H)3	C[5](C[6,6]C[3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(CC[5]HH)	109.4728	0.036	5	109.4686	0.001	8	109.4686	0.001	8	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6,6]N[5])(H)3	C[5](C[6,6]C[3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[6,6]N[5])(H)3	C[5](C[6,6]C[3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4617	0.034	3	109.4686	0.001	8	109.4686	0.001	8	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2C[6])(H)3	C[5](C[6]C[6]O[6]H)(C[5]C[5]O)(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C[6])(H)3	C[5](C[6]C[6]O[6]H)(C[5]C[5]O)(C[5]N[5]C)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4885	0.015	2	109.4885	0.000	2	109.4885	0.000	2	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	Ga-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2Ga)(H)3	C[5](GaC[6a]Cl2)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2Ga)(H)3	C[5](GaC[6a]Cl2)(C[5]C[5]C)2(CH3){2|C<4>}	H(CC[5]HH)	109.4633	0.043	3	109.4633	0.002	3	109.4633	0.002	3	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	Ga[3,3]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]Ga[3,3]C[5]2)(H)3	C[5](Ga[3,3]Ga[3,3]N[3]2)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]Ga[3,3]C[5]2)(H)3	C[5](Ga[3,3]Ga[3,3]N[3]2)(C[5]C[5]C)2(CH3){2|C<3>,3|C<4>}	H(CC[5]HH)	109.4537	0.019	3	109.4537	0.000	3	109.4537	0.000	3	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]Ga[4]C[5]2)(H)3	C[5](Ga[4]C[6a]Cl[4]2)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]Ga[4]C[5]2)(H)3	C[5](Ga[4]C[6a]Cl[4]2)(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4520	0.022	4	109.4520	0.000	4	109.4671	0.002	15	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]Ga[4]C[5]2)(H)3	C[5](Ga[4]Cl[4]2C[5])(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]Ga[4]C[5]2)(H)3	C[5](Ga[4]Cl[4]2C[5])(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<3>,3|C<4>}	H(CC[5]HH)	109.4626	0.048	9	109.4626	0.002	9	109.4671	0.002	15	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]Ga[4]C[5]2)(H)3	C[5](Ga[4]N[4]2N)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]Ga[4]C[5]2)(H)3	C[5](Ga[4]N[4]2N)(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>,2|N<2>}	H(CC[5]HH)	109.5175	0.023	2	109.5175	0.001	2	109.4671	0.002	15	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	P-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2P)(H)3	C[5](PAs[5,6]HW)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2P)(H)3	C[5](PAs[5,6]HW)(C[5]C[5]C)2(CH3){2|C<4>}	H(CC[5]HH)	109.4533	0.041	3	109.4533	0.002	3	109.4533	0.002	3	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	P[3]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3,4]O[3]Cr)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3,4]O[3]Cr)(C[5]C[5]C)2(CH3){4|C<4>}	H(CC[5]HH)	109.4670	0.006	2	109.4670	0.000	2	109.4709	0.002	48	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	P[3]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3,4]O[3]Mo)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3,4]O[3]Mo)(C[5]C[5]C)2(CH3){4|C<4>}	H(CC[5]HH)	109.4787	0.017	3	109.4787	0.000	3	109.4709	0.002	48	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	P[3]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3,4]O[3]W)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3,4]O[3]W)(C[5]C[5]C)2(CH3){4|C<4>}	H(CC[5]HH)	109.4527	0.047	3	109.4527	0.002	3	109.4709	0.002	48	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	P[3]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3,5]O[3]W)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3,5]O[3]W)(C[5]C[5]C)2(CH3){4|C<4>}	H(CC[5]HH)	109.4837	0.047	6	109.4837	0.002	6	109.4709	0.002	48	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	P[3]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3,6]O[3]W)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3,6]O[3]W)(C[5]C[5]C)2(CH3){4|C<4>}	H(CC[5]HH)	109.4579	0.048	9	109.4579	0.002	9	109.4709	0.002	48	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	P[3]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3]N[3]W)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3]N[3]W)(C[5]C[5]C)2(CH3){1|N<2>,3|C<4>}	H(CC[5]HH)	109.4640	0.025	2	109.4640	0.001	2	109.4709	0.002	48	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	P[3]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3]O[3]Cr)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3]O[3]Cr)(C[5]C[5]C)2(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.4747	0.020	3	109.4762	0.002	12	109.4709	0.002	48	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	P[3]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3]O[3]Cr)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3]O[3]Cr)(C[5]C[5]C)2(CH3){1|H<1>,3|C<4>}	H(CC[5]HH)	109.4767	0.048	9	109.4762	0.002	12	109.4709	0.002	48	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	P[3]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3]O[3]Mo)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3]O[3]Mo)(C[5]C[5]C)2(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.4703	0.026	3	109.4781	0.001	8	109.4709	0.002	48	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	P[3]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3]O[3]Mo)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3]O[3]Mo)(C[5]C[5]C)2(CH3){1|H<1>,3|C<4>}	H(CC[5]HH)	109.4828	0.039	5	109.4781	0.001	8	109.4709	0.002	48	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	P[3]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3]O[3]W)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2P[3])(H)3	C[5](P[3]C[3]O[3]W)(C[5]C[5]C)2(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.4617	0.051	3	109.4617	0.003	3	109.4709	0.002	48	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	P[4,6]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]P[4,6]C[5]2)(H)3	C[5](P[4,6]C[4,5,6]P[3,4,6]W)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]P[4,6]C[5]2)(H)3	C[5](P[4,6]C[4,5,6]P[3,4,6]W)(C[5]C[5]C)2(CH3){1|C<3>,1|W<6>,5|C<4>}	H(CC[5]HH)	109.4623	0.042	3	109.4623	0.002	3	109.4623	0.002	3	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	P[4]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2P[4])(H)3	C[5](P[4]C[4]O[4]W)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2P[4])(H)3	C[5](P[4]C[4]O[4]W)(C[5]C[5]C)2(CH3){2|H<1>,3|C<4>}	H(CC[5]HH)	109.4927	0.022	3	109.4927	0.000	3	109.4927	0.000	3	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	Si-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2Si)(H)3	C[5](SiC[5]Cl2)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2Si)(H)3	C[5](SiC[5]Cl2)(C[5]C[5]C)2(CH3){2|C<4>}	H(CC[5]HH)	109.4627	0.026	3	109.4627	0.001	3	109.4685	0.002	13	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	Si-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5]2Si)(H)3	C[5](SiC[5]InC)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]C[5]2Si)(H)3	C[5](SiC[5]InC)(C[5]C[5]C)2(CH3){2|C<4>}	H(CC[5]HH)	109.4702	0.054	10	109.4702	0.003	10	109.4685	0.002	13	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	Si[3]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]Si[3]C[5]2)(H)3	C[5](Si[3]C[3]2Si)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]Si[3]C[5]2)(H)3	C[5](Si[3]C[3]2Si)(C[5]C[5]C)2(CH3){2|C<4>,4|H<1>}	H(CC[5]HH)	110.9515	1.387	2	110.9515	1.923	2	110.9515	1.923	2	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]Si[4]C[5]2)(H)3	C[5](Si[4]N[4]2B)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]Si[4]C[5]2)(H)3	C[5](Si[4]N[4]2B)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	H(CC[5]HH)	109.4765	0.023	4	109.4765	0.001	4	109.4786	0.001	14	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]Si[4]C[5]2)(H)3	C[5](Si[4]N[4]2S)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]Si[4]C[5]2)(H)3	C[5](Si[4]N[4]2S)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	H(CC[5]HH)	109.4840	0.008	2	109.4840	0.000	2	109.4786	0.001	14	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]Si[4]C[5]2)(H)3	C[5](Si[4]N[4]2Se)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]Si[4]C[5]2)(H)3	C[5](Si[4]N[4]2Se)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	H(CC[5]HH)	109.4720	0.000	1	109.4720	0.000	1	109.4786	0.001	14	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]Si[4]C[5]2)(H)3	C[5](Si[4]N[4]2Te)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]Si[4]C[5]2)(H)3	C[5](Si[4]N[4]2Te)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	H(CC[5]HH)	109.4710	0.020	4	109.4710	0.000	4	109.4786	0.001	14	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]Si[4]C[5]2)(H)3	C[5](Si[4]N[4]2Zn)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]Si[4]C[5]2)(H)3	C[5](Si[4]N[4]2Zn)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	H(CC[5]HH)	109.4903	0.040	3	109.4903	0.002	3	109.4786	0.001	14	109.4818	0.075	166	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:Br-1:	C-4:	C(C[5]C[5]2Br)(Br)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CBrHH)(Br)	H(CC[5]BrH)	C(C[5]C[5]2Br)(Br)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CBrHH)(Br){1|C<4>,1|H<1>}	H(CC[5]BrH)	109.0065	0.013	2	109.0065	0.000	2	109.0065	0.000	2	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(Br)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]O)(CBrHH)(H)	H(CC[5]BrH)	C(C[5]C[5]N[5]H)(Br)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]O)(CBrHH)(H){1|H<1>,2|C<4>}	H(CC[5]BrH)	108.9750	0.000	1	108.9750	0.000	1	108.8232	0.010	5	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(Br)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CBrHH)(H)	H(CC[5]BrH)	C(C[5]C[5]N[5]H)(Br)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CBrHH)(H){1|H<1>,2|C<4>}	H(CC[5]BrH)	108.8340	0.044	2	108.8340	0.002	2	108.8232	0.010	5	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(Br)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CBrHH)(H)	H(CC[5]BrH)	C(C[5]C[5]N[5]H)(Br)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CBrHH)(H){2|C<3>,3|H<1>}	H(CC[5]BrH)	108.7365	0.022	2	108.7365	0.000	2	108.8232	0.010	5	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:Cl-1:Cl-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(Cl)2(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCl2H)(H)	H(CC[5]Cl2)	C(C[5]C[5]2H)(Cl)2(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCl2H)(H){1|Si<4>,2|H<1>}	H(CC[5]Cl2)	108.8400	0.000	1	108.8400	0.000	1	108.8400	0.000	1	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(Cl)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CClHH)(H)	H(CC[5]ClH)	C(C[5]C[5]2H)(Cl)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CClHH)(H){1|H<1>,2|C<4>}	H(CC[5]ClH)	109.2825	0.111	2	109.2825	0.012	2	109.2825	0.012	2	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H)	H(CC[5]HH)	C(C[5]C[3,5]C[5]H)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(CC[5]HH)	109.4808	0.045	6	109.4747	0.002	12	109.4747	0.002	12	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H)	H(CC[5]HH)	C(C[5]C[3,5]C[5]H)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.4685	0.045	6	109.4747	0.002	12	109.4747	0.002	12	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[3,5]N[5]H)(H)3	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H)	H(CC[5]HH)	C(C[5]C[3,5]N[5]H)(H)3	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H){1|C<4>,2|H<1>}	H(CC[5]HH)	109.4673	0.042	6	109.4597	0.001	8	109.4599	0.001	10	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[3,5]N[5]H)(H)3	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H)	H(CC[5]HH)	C(C[5]C[3,5]N[5]H)(H)3	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H){3|H<1>}	H(CC[5]HH)	109.4370	0.016	2	109.4597	0.001	8	109.4599	0.001	10	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[3,5]N[5]H)(H)3	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[3,5]N[5]H)(H)3	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]H)(CH3)(H){1|C<4>,1|O<1>}	H(CC[5]HH)	109.4605	0.009	2	109.4605	0.000	2	109.4599	0.001	10	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[4,5]C[5]H)(H)3	C[5](C[4,5]C[4,5]O[4]H)(C[5]N[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[4,5]C[5]H)(H)3	C[5](C[4,5]C[4,5]O[4]H)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	108.2215	2.414	8	108.2215	5.829	8	109.4155	7.829	13	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[4,5]C[5]H)(H)3	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(CH3)(H)	H(CC[5]HH)	C(C[5]C[4,5]C[5]H)(H)3	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	111.3260	2.423	5	111.3260	5.873	5	109.4155	7.829	13	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5,6,6]C[5]H)(H)3	C[5](C[5,5,6,6]C[4,5,5,6,6]C[5,5,6,6]H)(C[5]C[4,5,6]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6,6]C[5]H)(H)3	C[5](C[5,5,6,6]C[4,5,5,6,6]C[5,5,6,6]H)(C[5]C[4,5,6]O)(CH3)(H){2|H<1>,5|C<4>}	H(CC[5]HH)	109.5075	0.049	2	109.5075	0.002	2	109.4930	0.004	7	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5,6,6]C[5]H)(H)3	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6,6]C[5]H)(H)3	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H){1|C<4>,1|H<1>,6|C<3>}	H(CC[5]HH)	109.5255	0.056	2	109.4872	0.005	5	109.4930	0.004	7	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5,6,6]C[5]H)(H)3	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6,6]C[5]H)(H)3	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H){1|H<1>,2|C<4>,5|C<3>}	H(CC[5]HH)	109.4617	0.079	3	109.4872	0.005	5	109.4930	0.004	7	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[3x5,6]C[5]C[6])(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[3x5,6]C[5]C[6])(C[5]O[5]O)(CH3)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4464	0.037	5	109.4464	0.001	5	109.4627	2.590	29	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4910	0.017	3	109.4910	0.000	3	109.4627	2.590	29	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4620	0.061	2	109.4620	0.004	2	109.4627	2.590	29	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(CC[5]HH)	109.4241	1.263	7	109.4241	1.595	7	109.4627	2.590	29	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]O)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4547	0.032	3	109.4547	0.001	3	109.4627	2.590	29	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(CH3)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(CC[5]HH)	109.5373	5.608	3	109.5373	31.449	3	109.4627	2.590	29	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H){3|C<4>,5|H<1>}	H(CC[5]HH)	109.4663	0.031	3	109.4742	0.001	6	109.4627	2.590	29	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H){3|C<4>,7|H<1>}	H(CC[5]HH)	109.4820	0.029	3	109.4742	0.001	6	109.4627	2.590	29	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)(CH3)(H){3|C<4>,3|H<1>}	H(CC[5]HH)	109.4700	0.029	4	109.4700	0.001	4	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[3x5]C[5,5]O)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[3x5]C[5,5]O)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4655	0.025	4	109.4655	0.001	4	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[3x5]C[5]O)(C[5]N[5,5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[3x5]C[5]O)(C[5]N[5,5]O)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HH)	110.4107	1.837	3	110.4107	3.376	3	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(CH3)(H){2|H<1>,3|C<4>}	H(CC[5]HH)	111.4793	2.340	3	111.4793	5.475	3	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CH3)(H){1|H<1>,2|O<2>,4|C<4>}	H(CC[5]HH)	109.4767	0.035	6	109.4767	0.001	6	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(CH3)(H){1|H<1>,4|C<4>}	H(CC[5]HH)	109.4566	0.062	5	109.4566	0.004	5	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]Cl)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]Cl)(CH3)(H){1|Cl<1>,2|O<2>,3|C<4>}	H(CC[5]HH)	109.4950	0.010	2	109.4950	0.000	2	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(CH3)(H){1|C<4>,1|N<3>,5|H<1>}	H(CC[5]HH)	109.4747	0.040	3	109.4747	0.002	3	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)(H){3|C<4>,4|H<1>}	H(CC[5]HH)	110.3380	1.503	6	110.3380	2.259	6	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]HH)	109.4977	0.032	3	109.4977	0.001	3	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]Hf)(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]Hf)(C[5]C[5]C)(CH3)(H){4|C<4>}	H(CC[5]HH)	109.4368	0.051	5	109.4368	0.003	5	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]HH)	112.4627	1.803	3	112.4627	3.252	3	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]Ti)(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]Ti)(C[5]C[5]C)(CH3)(H){4|C<4>}	H(CC[5]HH)	109.4797	0.050	3	109.4797	0.003	3	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C)(CH3)(H){4|C<4>}	H(CC[5]HH)	109.4680	0.052	4	109.4680	0.003	4	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(CH3)(H){1|H<1>,1|N<3>,2|C<4>}	H(CC[5]HH)	109.4813	0.038	3	109.4813	0.001	3	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)(H){1|O<2>,3|C<4>}	H(CC[5]HH)	109.4413	0.038	3	109.4413	0.001	3	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H){1|Cl<1>,1|Cr<6>,1|O<2>,3|C<4>}	H(CC[5]HH)	109.4480	0.007	2	109.4690	0.001	8	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H){1|Cl<1>,1|Mo<6>,1|O<2>,3|C<4>}	H(CC[5]HH)	109.4857	0.050	3	109.4690	0.001	8	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H){1|F<1>,1|O<2>,1|W<6>,3|C<4>}	H(CC[5]HH)	109.4663	0.043	3	109.4690	0.001	8	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)(H){1|H<1>,4|C<3>}	H(CC[5]HH)	109.4977	0.040	3	109.4977	0.002	3	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4610	0.000	1	109.4610	0.000	1	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CH3)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CC[5]HH)	109.4818	0.041	6	109.4818	0.002	6	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4880	0.013	2	109.4486	0.001	7	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H){1|N<3>,1|O<1>,2|C<2>,3|C<3>}	H(CC[5]HH)	109.4390	0.036	3	109.4486	0.001	7	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4235	0.008	2	109.4486	0.001	7	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(CH3)(H){1|C<2>,4|C<4>,4|H<1>}	H(CC[5]HH)	109.4667	0.013	3	109.4667	0.000	3	109.7304	0.871	88	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5,5]H)(H)3	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]N[5,5]H)(H)3	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(CC[5]HH)	109.9490	1.036	6	110.2971	1.445	9	110.2971	1.445	9	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5,5]H)(H)3	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]N[5,5]H)(H)3	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	H(CC[5]HH)	110.9933	1.416	3	110.2971	1.445	9	110.2971	1.445	9	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]N[5]H)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(CH3)(H){3|C<4>,4|H<1>}	H(CC[5]HH)	109.5013	0.017	3	109.5013	0.000	3	109.4719	0.011	42	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]N[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4752	0.040	6	109.4752	0.002	6	109.4719	0.011	42	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(H)3	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]N[5]H)(H)3	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]C)(CH3)(H){1|N<2>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4650	0.020	2	109.4650	0.000	2	109.4719	0.011	42	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(H)3	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]N[5]H)(H)3	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]H)(CH3)(H){1|C<3>,1|N<2>,4|H<1>}	H(CC[5]HH)	109.4715	0.006	2	109.4715	0.000	2	109.4719	0.011	42	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(H)3	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]N[5]H)(H)3	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4540	0.208	11	109.4540	0.043	11	109.4719	0.011	42	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]N[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(CC[5]HH)	109.5153	0.027	6	109.5010	0.001	9	109.4719	0.011	42	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]N[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H){2|H<1>,5|C<3>}	H(CC[5]HH)	109.4723	0.016	3	109.5010	0.001	9	109.4719	0.011	42	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]S)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]N[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]S)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4597	0.012	3	109.4597	0.000	3	109.4719	0.011	42	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(H)3	C[5](C[5,5]C[5]3)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]N[5]H)(H)3	C[5](C[5,5]C[5]3)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,6|H<1>}	H(CC[5]HH)	109.4343	0.016	3	109.4343	0.000	3	109.4719	0.011	42	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(H)3	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]N[5]H)(H)3	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<1>,2|C<4>}	H(CC[5]HH)	109.4687	0.024	3	109.4687	0.001	3	109.4719	0.011	42	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:P[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]P[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]Fe)(P[5]C[3x6]P[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]P[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]Fe)(P[5]C[3x6]P[5])(CH3)(H){1|H<1>,6|C<4>}	H(CC[5]HH)	109.4787	0.050	3	109.4787	0.002	3	109.4787	0.002	3	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(H)3	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]O[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6,6]C[5]H)(H)3	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]O[5])(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<2>}	H(CC[5]HH)	110.1397	0.853	3	110.1397	0.728	3	110.1397	0.728	3	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|Al<5>,1|C<4>,1|O<3>,2|H<1>,5|C<3>}	H(CC[5]HH)	109.4920	0.007	2	109.4595	0.001	18	109.4595	0.001	18	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(CC[5]HH)	109.4640	0.029	6	109.4595	0.001	18	109.4595	0.001	18	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]H)(H)3	C[5](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|O<1>,2|H<1>,5|C<3>}	H(CC[5]HH)	109.4503	0.040	10	109.4595	0.001	18	109.4595	0.001	18	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O)(CH3)(H){2|H<1>,3|C<4>}	H(CC[5]HH)	109.4383	0.043	3	109.4383	0.002	3	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	H(CC[5]HH)	109.4823	0.049	11	109.4823	0.002	11	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(CH3)(H){2|H<1>,3|C<4>}	H(CC[5]HH)	111.1583	0.864	3	111.1583	0.747	3	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	H(CC[5]HH)	109.4755	0.005	2	109.4755	0.000	2	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CH3)(H){2|C<4>,5|H<1>}	H(CC[5]HH)	109.4620	0.042	5	109.4620	0.002	5	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.5120	0.004	2	109.5120	0.000	2	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4740	0.048	5	109.4734	0.002	7	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4720	0.018	2	109.4734	0.002	7	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4720	0.000	1	109.4720	0.000	1	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)(H){2|C<4>,4|H<1>}	H(CC[5]HH)	109.4970	0.014	2	109.4970	0.000	2	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(CC[5]HH)	109.4721	0.032	33	109.4682	0.003	53	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4777	0.034	3	109.4682	0.003	53	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	H(CC[5]HH)	109.3970	0.188	3	109.4682	0.003	53	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4647	0.039	3	109.4682	0.003	53	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){2|C<4>,3|H<1>}	H(CC[5]HH)	109.4746	0.038	11	109.4682	0.003	53	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.4607	0.012	3	109.4607	0.000	3	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]O)(CH3)(H){1|H<1>,2|C<4>}	H(CC[5]HH)	109.4667	0.014	3	109.4667	0.000	3	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(CH3)(H){1|C<3>,3|C<4>}	H(CC[5]HH)	109.4457	0.060	3	109.4457	0.004	3	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(H){1|H<1>,2|C<4>}	H(CC[5]HH)	109.4730	0.043	16	109.4730	0.002	16	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4742	0.025	6	109.4742	0.001	6	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4828	0.018	5	109.4828	0.000	5	109.5114	0.081	125	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]N[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	H(CC[5]HH)	109.5123	0.368	3	109.4895	0.056	6	109.4895	0.056	6	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]N[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H){2|C<4>,5|H<1>}	H(CC[5]HH)	109.4667	0.059	3	109.4895	0.056	6	109.4895	0.056	6	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:Br-1:	C-4:	C(C[5]C[5]2Br)(H)3	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(Br)	H(CC[5]HH)	C(C[5]C[5]2Br)(H)3	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(Br){1|C<4>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4727	0.046	3	109.4727	0.002	3	109.4736	0.001	7	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:Br-1:	C-4:	C(C[5]C[5]2Br)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(Br)	H(CC[5]HH)	C(C[5]C[5]2Br)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(Br){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	H(CC[5]HH)	109.4742	0.037	4	109.4742	0.001	4	109.4736	0.001	7	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:Cl-1:	C-4:	C(C[5]C[5]2Cl)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(Cl)	H(CC[5]HH)	C(C[5]C[5]2Cl)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(Cl){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4780	0.017	2	109.4780	0.000	2	109.4780	0.000	2	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:F-1:	C-4:	C(C[5]C[5]2F)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(F)	H(CC[5]HH)	C(C[5]C[5]2F)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(F){1|C<4>,1|H<1>}	H(CC[5]HH)	108.8324	0.837	5	108.8324	0.701	5	108.8324	0.701	5	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]O)(CH3)(H){1|H<1>,2|C<4>}	H(CC[5]HH)	109.4713	0.019	3	109.4713	0.000	3	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4878	0.024	5	109.4878	0.001	5	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[3]C[5]H)(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[3]C[5]H)(C[5]C[5]O)(CH3)(H){2|H<1>,3|C<4>}	H(CC[5]HH)	109.4793	0.056	3	109.4793	0.003	3	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CH3)(H){1|H<1>,1|N<3>,2|C<4>}	H(CC[5]HH)	109.5425	0.025	2	109.5425	0.001	2	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4575	0.005	2	109.4575	0.000	2	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H){1|C<3>,2|C<4>}	H(CC[5]HH)	110.2119	1.430	15	110.2119	2.044	15	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]C[5]C)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]C[5]C)(C[5]O[5]O)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4607	0.017	3	109.4607	0.000	3	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4693	0.048	8	109.4693	0.002	8	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|O<2>}	H(CC[5]HH)	109.5210	0.059	3	109.5210	0.003	3	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.5393	0.073	3	109.5030	0.003	8	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4812	0.014	5	109.5030	0.003	8	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4820	0.021	2	109.4638	0.640	13	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4480	0.027	3	109.4638	0.640	13	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H){1|H<1>,3|C<4>}	H(CC[5]HH)	109.4652	1.047	8	109.4638	0.640	13	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>}	H(CC[5]HH)	109.4829	0.048	11	109.4829	0.002	11	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|O<2>}	H(CC[5]HH)	109.4857	0.059	6	109.4857	0.003	6	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4793	0.019	3	109.4793	0.000	3	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4670	0.024	2	109.4670	0.001	2	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CH3)(H){4|C<3>}	H(CC[5]HH)	109.4653	0.026	3	109.4653	0.001	3	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H){1|C<3>,1|N<3>}	H(CC[5]HH)	109.4620	0.020	2	109.4718	0.002	5	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4783	0.060	3	109.4718	0.002	5	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5]HH)	110.3630	1.529	9	110.3630	2.338	9	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]2H)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]2H)(C[5]O[5]O)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4745	0.006	2	109.4745	0.000	2	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]Ir)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]Ir)(CH3)(H){2|C<3>}	H(CC[5]HH)	109.5370	0.018	2	109.5370	0.000	2	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4590	0.027	3	109.4590	0.001	3	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.8447	2.145	6	109.8447	4.602	6	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)(H){2|C<4>}	H(CC[5]HH)	108.9502	3.124	6	108.9502	9.762	6	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(H){4|H<1>}	H(CC[5]HH)	109.4679	0.042	11	109.4679	0.002	11	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)(H){1|C<3>}	H(CC[5]HH)	109.8864	1.220	16	109.8864	1.489	16	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H){1|C<4>,2|H<1>}	H(CC[5]HH)	109.4787	0.033	3	109.4913	0.001	9	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H){1|Ni<4>,1|C<3>}	H(CC[5]HH)	109.4977	0.032	6	109.4913	0.001	9	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>}	H(CC[5]HH)	109.2026	1.448	32	109.3477	1.146	99	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4126	0.878	61	109.3477	1.146	99	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4783	0.015	3	109.3477	1.146	99	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){2|H<1>}	H(CC[5]HH)	109.4467	0.046	3	109.3477	1.146	99	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)(H){2|O<2>}	H(CC[5]HH)	109.4750	0.000	1	109.4750	0.000	1	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	110.3411	0.891	9	110.3411	0.793	9	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CS)(C[5]N[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CS)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4530	0.029	3	109.4530	0.001	3	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(H){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4750	0.013	2	109.4750	0.000	2	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(H){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4643	0.054	3	109.4643	0.003	3	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)(H){1|Ni<4>,1|C<3>}	H(CC[5]HH)	109.4877	0.049	3	109.4877	0.002	3	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(H){1|C<3>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4330	0.018	2	109.4330	0.000	2	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]C)(CH3)(H){2|C<4>}	H(CC[5]HH)	109.4715	0.005	2	109.4715	0.000	2	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4660	0.020	2	109.4740	0.078	33	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4791	0.037	25	109.4740	0.078	33	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H){2|C<4>}	H(CC[5]HH)	109.4557	0.701	6	109.4740	0.078	33	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HN)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HN)(C[5]O[5]O)(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4866	0.022	5	109.4866	0.001	5	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)(H){1|H<1>,1|N<3>}	H(CC[5]HH)	109.4695	0.006	2	109.4695	0.000	2	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4702	0.027	8	109.4741	0.001	10	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H){2|C<4>}	H(CC[5]HH)	109.4895	0.006	2	109.4741	0.001	10	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	112.2427	2.301	3	110.8899	2.929	9	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H){1|C<4>,2|H<1>}	H(CC[5]HH)	109.4543	0.034	3	110.8899	2.929	9	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H){1|O<2>,2|H<1>}	H(CC[5]HH)	110.9727	0.758	3	110.8899	2.929	9	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]B[5]H)(C[5]C[3]C[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]B[5]H)(C[5]C[3]C[5])(CH3)(H){1|C<2>,1|H<1>,2|C<4>,4|C<3>}	H(CC[5]HH)	109.5005	0.035	2	109.5005	0.001	2	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CH3)(H){1|N<3>,3|C<3>}	H(CC[5]HH)	109.4890	0.033	3	109.4890	0.001	3	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(CH3)(H){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4567	0.043	3	109.4567	0.002	3	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	H(CC[5]HH)	109.5097	0.019	6	109.4963	0.001	11	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	H(CC[5]HH)	109.4802	0.017	5	109.4963	0.001	11	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CH3)(H){4|C<3>}	H(CC[5]HH)	109.4595	0.023	10	109.4595	0.001	10	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4727	0.013	3	109.4727	0.000	3	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]P)(C[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]P)(C[5]C[5]H)(CH3)(H){2|H<1>,3|C<3>}	H(CC[5]HH)	109.4642	0.037	5	109.4642	0.001	5	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CH3)(H){5|C<3>}	H(CC[5]HH)	109.4617	0.022	3	109.4617	0.000	3	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CH3)(H){1|C<4>,3|C<3>}	H(CC[5]HH)	109.4800	0.055	2	109.4800	0.003	2	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(CH3)(H){1|C<3>,1|C<4>,1|S<4>}	H(CC[5]HH)	109.4772	0.030	4	109.4772	0.001	4	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(H){1|H<1>,1|O<1>}	H(CC[5]HH)	109.4627	0.028	3	109.4627	0.001	3	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|H<1>}	H(CC[5]HH)	114.5267	5.483	3	114.5267	30.063	3	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3)(H){1|H<1>,1|S<4>}	H(CC[5]HH)	109.4460	0.016	3	109.4460	0.000	3	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|C<3>,1|H<1>,1|S<4>}	H(CC[5]HH)	109.4400	0.040	3	109.4531	0.002	25	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|C<4>}	H(CC[5]HH)	109.4545	0.023	8	109.4531	0.002	25	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|H<1>}	H(CC[5]HH)	109.4551	0.047	14	109.4531	0.002	25	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]O[5]CH)(C[5]N[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]O[5]CH)(C[5]N[5]C)(CH3)(H){1|O<1>}	H(CC[5]HH)	109.4673	0.016	3	109.4673	0.000	3	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H){1|C<3>}	H(CC[5]HH)	109.4710	0.038	2	109.4676	0.001	8	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H){2|H<1>}	H(CC[5]HH)	109.4665	0.024	6	109.4676	0.001	8	109.5846	1.093	433	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]B[5]HH)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]B[5]HH)(N[5]C[5]C)(CH3)(H){2|Br<1>,1|H<1>,1|N<3>}	H(CC[5]HH)	109.4797	0.042	3	109.4797	0.002	3	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4495	0.005	2	109.4654	0.000	5	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H){1|H<1>,2|C<4>}	H(CC[5]HH)	109.4760	0.018	3	109.4654	0.000	5	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5,6a]B[5]H)(N[5]C[5,6a]S)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5,6a]B[5]H)(N[5]C[5,6a]S)(CH3)(H){2|C<3>,2|O<2>}	H(CC[5]HH)	109.4740	0.000	1	109.4740	0.000	1	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	H(CC[5]HH)	110.4217	0.393	3	110.4217	0.154	3	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	H(CC[5]HH)	109.7581	0.887	10	109.7581	0.787	10	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4628	0.028	13	109.4628	0.001	13	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4736	0.042	7	109.4736	0.002	7	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4535	0.009	2	110.0281	1.890	7	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	110.2580	1.614	5	110.0281	1.890	7	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]S)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]S)(CH3)(H){1|C<3>,2|H<1>}	H(CC[5]HH)	109.5823	1.933	6	109.5823	3.736	6	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4580	0.066	3	109.5582	0.552	49	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4788	0.023	10	109.5582	0.552	49	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,3|H<1>}	H(CC[5]HH)	109.9468	1.760	9	109.5582	0.552	49	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4713	0.036	3	109.5582	0.552	49	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){2|C<4>,2|H<1>}	H(CC[5]HH)	109.4780	0.008	2	109.5582	0.552	49	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){4|H<1>}	H(CC[5]HH)	109.4682	0.027	22	109.5582	0.552	49	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4530	0.048	6	109.8850	0.607	11	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H){1|C<4>,1|P<4>,2|H<1>}	H(CC[5]HH)	111.0073	0.654	3	109.8850	0.607	11	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4975	0.015	2	109.8850	0.607	11	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.5150	0.000	1	109.4990	0.001	5	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4950	0.039	4	109.4990	0.001	5	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]W)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]W)(CH3)(H){4|H<1>}	H(CC[5]HH)	109.5283	0.304	6	109.5283	0.093	6	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]O[5]S)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]O[5]S)(CH3)(H){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4732	0.024	5	109.4732	0.001	5	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4670	0.033	3	109.4648	0.001	6	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4627	0.031	3	109.4648	0.001	6	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HO)(N[5]C[5]S)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HO)(N[5]C[5]S)(CH3)(H){1|C<3>,2|H<1>}	H(CC[5]HH)	109.4837	0.025	3	109.4837	0.001	3	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]SiC)(N[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]SiC)(N[5]C[5]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4800	0.056	3	109.4800	0.003	3	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6]O[5]H)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6]O[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|O<2>}	H(CC[5]HH)	109.4757	0.008	6	109.4757	0.000	6	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6]O[5]H)(N[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6]O[5]H)(N[5]C[5]H)(CH3)(H){1|O<1>,1|S<2>,2|C<4>}	H(CC[5]HH)	109.5020	0.013	2	109.5020	0.000	2	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CH3)(H){1|F<1>,1|H<1>,1|S<4>,2|C<3>}	H(CC[5]HH)	109.4900	0.039	3	109.4900	0.002	3	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4577	0.044	3	109.4577	0.002	3	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4829	0.039	7	109.6440	0.568	22	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,3|C<3>}	H(CC[5]HH)	109.7192	0.913	15	109.6440	0.568	22	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]As[5,5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]As[5,5]H)(CH3)(H){1|N<3>,1|O<2>,3|C<3>}	H(CC[5]HH)	109.4843	0.046	4	109.4843	0.002	4	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H){2|C<3>,2|C<4>}	H(CC[5]HH)	109.4806	0.037	8	109.4806	0.001	8	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4712	0.039	42	109.4767	0.001	76	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>}	H(CC[5]HH)	109.4834	0.028	34	109.4767	0.001	76	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]C[5]H)(CH3)(H){1|S<1>,2|C<3>}	H(CC[5]HH)	110.2403	1.674	6	110.2403	2.802	6	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]C[5]Ru)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]C[5]Ru)(CH3)(H){1|C<4>,2|C<3>}	H(CC[5]HH)	109.4463	0.061	3	109.4463	0.004	3	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(CH3)(H){1|O<1>,2|C<3>}	H(CC[5]HH)	109.4660	0.030	5	109.4660	0.001	5	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.7542	1.095	27	109.7443	1.157	28	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H){1|N<3>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4770	0.000	1	109.7443	1.157	28	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]S[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]S[5]C)(CH3)(H){1|O<1>,2|C<3>}	H(CC[5]HH)	109.4280	0.033	3	109.4280	0.001	3	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]S[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]S[5]H)(CH3)(H){2|C<3>,2|O<1>}	H(CC[5]HH)	109.4785	0.011	2	109.4785	0.000	2	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>}	H(CC[5]HH)	109.5037	0.012	3	109.5037	0.000	3	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(CH3)(H){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4667	0.046	3	109.4667	0.002	3	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]S)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]S)(CH3)(H){1|N<3>}	H(CC[5]HH)	109.4703	0.027	3	109.4703	0.001	3	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(N[5]Si[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(N[5]Si[5]C)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4728	0.039	5	109.4728	0.002	5	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]HH)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]HH)(N[5]C[5]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4580	0.028	3	109.4580	0.001	3	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]HH)(N[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]HH)(N[5]C[5]H)(CH3)(H){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4693	0.026	3	109.4693	0.001	3	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]CH)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]CH)(N[5]C[5]C)(CH3)(H){2|C<4>}	H(CC[5]HH)	110.7917	1.030	3	110.7917	1.061	3	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]CH)(N[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]CH)(N[5]C[5]H)(CH3)(H){1|O<1>}	H(CC[5]HH)	109.4620	0.031	3	109.4620	0.001	3	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4715	0.028	6	109.4779	0.001	19	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|N<2>}	H(CC[5]HH)	109.4525	0.056	2	109.4779	0.001	19	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|O<1>}	H(CC[5]HH)	109.4897	0.030	7	109.4779	0.001	19	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|S<1>}	H(CC[5]HH)	109.4797	0.022	4	109.4779	0.001	19	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)(H){1|C<3>}	H(CC[5]HH)	109.4825	0.088	10	109.4642	0.006	16	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)(H){1|C<4>}	H(CC[5]HH)	109.4338	0.057	6	109.4642	0.006	16	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)(H){1|C<3>}	H(CC[5]HH)	109.4652	0.021	5	109.4652	0.000	5	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)(H){1|C<3>}	H(CC[5]HH)	109.4302	0.028	5	109.4302	0.001	5	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)(H){1|C<3>}	H(CC[5]HH)	109.4573	0.041	4	109.4704	0.001	7	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)(H){1|C<4>}	H(CC[5]HH)	109.4880	0.025	3	109.4704	0.001	7	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]S)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4997	0.026	3	109.4997	0.001	3	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)(H){1|C<3>}	H(CC[5]HH)	109.4429	0.056	16	109.4429	0.003	16	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]S[5]CH)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]S[5]CH)(N[5]C[5]C)(CH3)(H){1|S<1>}	H(CC[5]HH)	109.4680	0.079	2	109.4680	0.006	2	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]S[5]CH)(N[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]S[5]CH)(N[5]C[5]H)(CH3)(H){1|S<1>}	H(CC[5]HH)	109.4813	0.035	3	109.4813	0.001	3	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]S[5]HH)(N[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]S[5]HH)(N[5]C[5]C)(CH3)(H){1|O<1>}	H(CC[5]HH)	109.4653	0.049	3	109.4653	0.002	3	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H){1|N<2>}	H(CC[5]HH)	109.4790	0.027	3	109.4749	0.001	9	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]S[5]HH)(N[5]C[5]H)(CH3)(H){1|S<1>}	H(CC[5]HH)	109.4728	0.034	6	109.4749	0.001	9	109.5634	0.342	428	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]HH)(O[5]C[5]Mg)(CH3)(H){4|H<1>}	H(CC[5]HH)	109.4462	0.037	5	109.4462	0.001	5	109.4650	0.087	8	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]C[5]Re)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]C[5]Re)(CH3)(H){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4963	0.548	3	109.4963	0.300	3	109.4650	0.087	8	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:P[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](C[5]C[5]HH)(P[5]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](C[5]C[5]HH)(P[5]C[5]C)(CH3)(H){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4740	0.032	6	109.4740	0.001	6	109.4740	0.001	6	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]B[5,6]HH)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]B[5,6]HH)(C[5]O[5]O)(CH3)(H){2|C<4>}	H(CC[5]HH)	109.4407	0.034	3	109.4407	0.001	3	109.5612	2.882	6	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]Ga[5]CH)(C[5]O[5]O)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]Ga[5]CH)(C[5]O[5]O)(CH3)(H){2|O<2>}	H(CC[5]HH)	109.6817	2.676	3	109.6817	7.159	3	109.5612	2.882	6	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5,5]H)(H)2(I)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]N[5])(CHHI)(H)	H(CC[5]HI)	C(C[5]C[5,5]N[5,5]H)(H)2(I)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]N[5])(CHHI)(H){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HI)	109.2130	0.028	2	109.2130	0.001	2	109.2130	0.001	2	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)2(I)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHI)(H)	H(CC[5]HI)	C(C[5]C[5]N[5]H)(H)2(I)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHI)(H){1|C<2>,1|H<1>,2|C<3>}	H(CC[5]HI)	109.0433	0.553	16	109.0433	0.306	16	109.0793	0.247	22	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)2(I)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H)	H(CC[5]HI)	C(C[5]C[5]N[5]H)(H)2(I)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H){1|C<3>,3|H<1>}	H(CC[5]HI)	109.2615	0.033	2	109.3727	0.017	4	109.0793	0.247	22	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)2(I)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H)	H(CC[5]HI)	C(C[5]C[5]N[5]H)(H)2(I)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H){4|H<1>}	H(CC[5]HI)	109.4840	0.031	2	109.3727	0.017	4	109.0793	0.247	22	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:1:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)2(I)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CHHI)(H)	H(CC[5]HI)	C(C[5]C[5]N[5]H)(H)2(I)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CHHI)(H){1|C<4>}	H(CC[5]HI)	108.7810	0.068	2	108.7810	0.005	2	109.0793	0.247	22	109.5546	0.719	1294	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:Cl-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(Cl)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CClHH)(OH)	H(CC[5]ClH)	C(C[5]C[5,6]C[5]O)(Cl)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CClHH)(OH){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]ClH)	109.4760	0.018	2	109.4760	0.000	2	109.4760	0.000	2	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-3:C-4:O-2:	C-4:	C(C[5]C[3,5]C[5,6]O)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH)	H(CC[5]HH)	C(C[5]C[3,5]C[5,6]O)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4750	0.028	3	109.4617	0.001	6	109.4617	0.001	6	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-3:C-4:O-2:	C-4:	C(C[5]C[3,5]C[5,6]O)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH)	H(CC[5]HH)	C(C[5]C[3,5]C[5,6]O)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH){3|C<4>,4|H<1>}	H(CC[5]HH)	109.4483	0.013	3	109.4617	0.001	6	109.4617	0.001	6	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6,6]N[5]O)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6,6]N[5]O)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(CH3)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4755	0.021	4	109.4755	0.000	4	109.4755	0.000	4	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:N-2:	C-4:	C(C[5]C[5,6]C[5]N)(H)3	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NN)	H(CC[5]HH)	C(C[5]C[5,6]C[5]N)(H)3	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NN){1|H<1>,2|C<4>}	H(CC[5]HH)	109.4135	1.422	6	109.4135	2.023	6	109.4135	2.023	6	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(CH3)(OH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(CC[5]HH)	109.5090	0.030	4	109.5090	0.001	4	109.4141	0.071	18	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4693	0.040	3	109.4693	0.002	3	109.4141	0.071	18	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OC){1|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4513	0.035	3	109.4513	0.001	3	109.4141	0.071	18	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OH){2|C<4>,3|H<1>}	H(CC[5]HH)	109.4817	0.020	3	109.4817	0.000	3	109.4141	0.071	18	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(OH){1|H<1>,2|C<4>}	H(CC[5]HH)	109.0850	0.631	3	109.0850	0.399	3	109.4141	0.071	18	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4780	0.017	2	109.4780	0.000	2	109.4141	0.071	18	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]N)(CH3)(CN)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]N)(CH3)(CN){1|C<3>,2|H<1>}	H(CC[5]HH)	109.4718	0.035	5	109.4718	0.001	5	109.4688	0.001	12	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CC)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CC){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4755	0.018	2	109.4755	0.000	2	109.4688	0.001	12	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CH3)(CN)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CH3)(CN){2|H<1>,3|C<3>}	H(CC[5]HH)	109.4630	0.023	5	109.4630	0.001	5	109.4688	0.001	12	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,5]HO)(C[5]O[5]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,5]HO)(C[5]O[5]O)(CH3)(OH){1|C<4>,1|O<2>}	H(CC[5]HH)	109.4522	0.029	4	109.4522	0.001	4	109.4098	0.846	87	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CH3)(OH){4|C<4>}	H(CC[5]HH)	109.4594	0.059	5	109.4594	0.004	5	109.4098	0.846	87	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4998	0.025	5	109.4998	0.001	5	109.4098	0.846	87	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(CH3)(OH){1|H<1>,2|C<4>}	H(CC[5]HH)	109.4677	0.021	3	109.4677	0.000	3	109.4098	0.846	87	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]C)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]C)(CH3)(OH){2|C<3>}	H(CC[5]HH)	109.4420	0.021	2	109.4420	0.000	2	109.4098	0.846	87	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(OH){4|H<1>}	H(CC[5]HH)	109.4797	0.029	3	109.4797	0.001	3	109.4098	0.846	87	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|C<4>,1|H<1>}	H(CC[5]HH)	110.3883	1.919	6	109.8590	1.643	14	109.4098	0.846	87	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4648	0.022	6	109.8590	1.643	14	109.4098	0.846	87	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|H<1>,3|C<4>}	H(CC[5]HH)	109.4535	0.022	2	109.8590	1.643	14	109.4098	0.846	87	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]O[5]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]O[5]O)(CH3)(OH){1|C<4>,1|H<1>}	H(CC[5]HH)	108.9573	1.395	3	108.9573	1.945	3	109.4098	0.846	87	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(OH){1|O<2>,2|C<4>}	H(CC[5]HH)	109.4696	0.023	7	109.4696	0.001	7	109.4098	0.846	87	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>}	H(CC[5]HH)	109.4965	0.081	2	109.4965	0.007	2	109.4098	0.846	87	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4629	0.035	23	109.4629	0.001	23	109.4098	0.846	87	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(OH){1|C<4>,1|H<1>}	H(CC[5]HH)	108.4703	2.116	9	108.4703	4.478	9	109.4098	0.846	87	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(CC[5]HH)	109.4757	0.015	3	109.4838	0.000	5	109.4098	0.846	87	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH){1|H<1>,2|C<4>,3|C<3>}	H(CC[5]HH)	109.4960	0.007	2	109.4838	0.000	5	109.4098	0.846	87	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(OH){1|C<4>,1|O<1>}	H(CC[5]HH)	109.4215	0.015	2	109.4215	0.000	2	109.4098	0.846	87	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]N[5]O)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)(OH){1|C<4>}	H(CC[5]HH)	109.4535	0.015	4	109.4535	0.000	4	109.4790	0.282	30	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(H)3	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]N[5]O)(H)3	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH){1|O<1>}	H(CC[5]HH)	109.4829	0.572	26	109.4829	0.327	26	109.4790	0.282	30	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:2:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]P[5]O)(H)3	C[5](P[5]C[5]OO)(C[5]O[5]O)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]P[5]O)(H)3	C[5](P[5]C[5]OO)(C[5]O[5]O)(CH3)(OH){1|C<3>,1|C<4>}	H(CC[5]HH)	109.4693	0.018	3	109.4693	0.000	3	109.4693	0.000	3	109.4322	0.553	168	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(CH3)(COO){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4593	0.040	3	109.4593	0.002	3	109.4593	0.002	3	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[3,5]N[5]C)(H)3	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[5]H)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[3,5]N[5]C)(H)3	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[5]H)(CH3)(COO){2|H<1>,4|C<3>}	H(CC[5]HH)	109.4477	0.018	3	109.4477	0.000	3	109.4477	0.000	3	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5,6,6]N[5]C)(H)3	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]Ir)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,5,6,6]N[5]C)(H)3	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]Ir)(CH3)(COO){7|C<3>}	H(CC[5]HH)	109.4667	0.033	3	109.4667	0.001	3	109.4667	0.001	3	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5,6]C[5]C)(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]C)(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(COO){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4740	0.000	1	109.4740	0.000	1	109.4740	0.000	1	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]C)(CH3)(CCO)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]C)(CH3)(CCO){1|H<1>,4|C<4>}	H(CC[5]HH)	109.4670	0.013	3	109.4670	0.000	3	109.4783	0.000	7	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]N[5]S[5])(C[5]N[5]N)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]N[5]S[5])(C[5]N[5]N)(CH3)(COO){1|C<4>,4|C<3>}	H(CC[5]HH)	109.4868	0.008	4	109.4868	0.000	4	109.4783	0.000	7	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,5]N[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(COO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4597	0.028	6	109.4597	0.001	6	110.1648	2.642	18	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5,5]N[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CH3)(CCH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	113.6387	0.854	3	113.6387	0.729	3	110.1648	2.642	18	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,5]N[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CH3)(COO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4792	0.047	5	109.4792	0.002	5	110.1648	2.642	18	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]S)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,5]N[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]S)(CH3)(COO){1|H<1>,1|N<3>,1|O<1>,1|S<1>,2|C<3>}	H(CC[5]HH)	109.4667	0.051	3	109.4667	0.003	3	110.1648	2.642	18	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]H)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,5]N[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]H)(CH3)(COO){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	H(CC[5]HH)	109.4970	0.000	1	109.4970	0.000	1	110.1648	2.642	18	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CH3)(COO){2|C<4>,2|H<1>}	H(CC[5]HH)	109.5105	0.023	2	109.5105	0.001	2	109.5105	0.001	2	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6]C[5]N)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NCH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]N)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NCH){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4868	0.024	5	109.4868	0.001	5	109.4799	0.000	12	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6]C[5]N)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NHH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]N)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NHH){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4765	0.015	4	109.4765	0.000	4	109.4799	0.000	12	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6]C[5]N)(H)3	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NCH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]N)(H)3	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NCH){1|H<1>,2|C<4>}	H(CC[5]HH)	109.4730	0.009	3	109.4730	0.000	3	109.4799	0.000	12	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6]N[5]C)(H)3	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,6]N[5]C)(H)3	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(CH3)(COO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4813	0.021	3	109.4813	0.000	3	109.4877	0.001	6	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6]N[5]C)(H)3	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,6]N[5]C)(H)3	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(CH3)(COO){2|H<1>,4|C<3>}	H(CC[5]HH)	109.4940	0.048	3	109.4940	0.002	3	109.4877	0.001	6	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(CNO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(CNO){4|H<1>}	H(CC[5]HH)	109.4593	0.033	3	109.4593	0.001	3	109.4766	0.001	23	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CCO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CCO){2|C<4>,2|H<1>}	H(CC[5]HH)	109.4690	0.019	3	109.4690	0.000	3	109.4766	0.001	23	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CHN)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CHN){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4898	0.021	6	109.4898	0.000	6	109.4766	0.001	23	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CNO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CNO){1|Cl<1>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4735	0.005	2	109.4735	0.000	2	109.4766	0.001	23	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Cr)(CH3)(CCN)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Cr)(CH3)(CCN){1|C<3>,2|C<4>}	H(CC[5]HH)	109.4823	0.032	3	109.4823	0.001	3	109.4766	0.001	23	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]O)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]O)(CH3)(COO){1|C<3>,2|C<4>}	H(CC[5]HH)	109.4967	0.023	3	109.4967	0.001	3	109.4766	0.001	23	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CCH){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4510	0.012	3	109.4510	0.000	3	109.4766	0.001	23	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5a]C[5]H)(C[5]N[5]H)(CH3)(NOO)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5a]C[5]H)(C[5]N[5]H)(CH3)(NOO){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4777	0.046	3	109.4777	0.002	3	109.4794	0.001	5	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(NCH)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(NCH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(CC[5]HH)	109.4820	0.008	2	109.4820	0.000	2	109.4794	0.001	5	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]H)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]H)(CH3)(COO){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4540	0.029	3	109.4540	0.001	3	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]H)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]H)(CH3)(COO){1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.5204	0.052	5	109.5204	0.003	5	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]S)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]S)(CH3)(COO){4|H<1>}	H(CC[5]HH)	109.4750	0.016	3	109.4750	0.000	3	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(COO){4|H<1>}	H(CC[5]HH)	109.4800	0.012	3	109.4800	0.000	3	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(COO){1|C<2>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4943	0.062	3	109.4884	0.002	5	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(COO){1|C<3>,1|S<2>,2|H<1>}	H(CC[5]HH)	109.4795	0.035	2	109.4884	0.002	5	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(COO){3|H<1>}	H(CC[5]HH)	109.4740	0.027	2	109.4740	0.001	2	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(CCH){1|O<1>,2|H<1>}	H(CC[5]HH)	108.1900	2.686	3	108.1900	7.214	3	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(COO){1|C<2>,1|C<3>,2|H<1>}	H(CC[5]HH)	109.4680	0.050	3	109.4680	0.002	3	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)(COO){1|C<3>}	H(CC[5]HH)	109.5043	0.023	3	109.5043	0.001	3	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]S)(CH3)(CCC)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]S)(CH3)(CCC){1|C<3>}	H(CC[5]HH)	109.5027	0.014	3	109.5027	0.000	3	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CH3)(CNO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CH3)(CNO){4|C<3>}	H(CC[5]HH)	109.4920	0.000	1	109.4920	0.000	1	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CH3)(COO){1|H<1>,5|C<3>}	H(CC[5]HH)	109.4650	0.068	3	109.4650	0.005	3	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CH3)(COO){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.5120	0.024	2	109.5120	0.001	2	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CH3)(CNO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CH3)(CNO){6|C<3>}	H(CC[5]HH)	109.5237	0.014	3	109.5237	0.000	3	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]S)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]S)(CH3)(COO){2|C<3>,3|H<1>}	H(CC[5]HH)	109.4543	0.032	3	109.4543	0.001	3	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]O[5]C)(N[5]C[5]H)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]O[5]C)(N[5]C[5]H)(CH3)(COO){1|S<1>,2|C<3>}	H(CC[5]HH)	109.4707	0.153	3	109.4707	0.023	3	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)(CHH)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)(CHH){1|C<3>,1|O<1>}	H(CC[5]HH)	111.2913	3.301	6	109.4052	20.637	15	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)(CHH)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)(CHH){1|C<3>,1|O<2>}	H(CC[5]HH)	110.6710	2.045	3	109.4052	20.637	15	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)(CHH)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)(CHH){1|C<3>}	H(CC[5]HH)	103.1296	4.220	3	109.4052	20.637	15	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)(CHH)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)(CHH){1|C<4>,1|O<1>}	H(CC[5]HH)	110.6430	4.559	3	109.4052	20.637	15	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]H)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]H)(CH3)(COO){1|H<1>,2|C<3>}	H(CC[5]HH)	109.5007	0.021	6	109.5007	0.000	6	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]S)(CH3)(CHO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]S)(CH3)(CHO){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4668	0.036	6	109.4668	0.001	6	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Si)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Si)(CH3)(COO){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4780	0.021	3	109.4780	0.000	3	109.4204	4.004	78	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:N-3:	C-4:	C(C[5]C[5]N[5]N)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(NCH)	H(CC[5]HH)	C(C[5]C[5]N[5]N)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(NCH){1|O<1>,2|H<1>}	H(CC[5]HH)	109.4674	0.032	5	109.4674	0.001	5	109.4714	0.001	8	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:N-3:	C-4:	C(C[5]C[5]N[5]N)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)(NHN)	H(CC[5]HH)	C(C[5]C[5]N[5]N)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)(NHN){1|C<4>}	H(CC[5]HH)	109.4780	0.044	3	109.4780	0.002	3	109.4714	0.001	8	109.5239	2.153	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(Cl)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(CClHH)(CH3)	H(CC[5]ClH)	C(C[5]C[5]N[5]C)(Cl)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]H)(CClHH)(CH3){1|C<3>}	H(CC[5]ClH)	109.1063	0.022	3	109.1063	0.000	3	109.1063	0.000	3	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	B[4,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]B[4,5]C[5]C)(H)3	C[5](B[4,5]S[4,5]C[6a]C[4])(C[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]B[4,5]C[5]C)(H)3	C[5](B[4,5]S[4,5]C[6a]C[4])(C[5]C[5]C)(CH3)2{5|C<3>}	H(CC[5]HH)	109.4843	0.043	6	109.4843	0.002	6	109.4843	0.002	6	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5,5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[3,5,5]N[5]C)(H)3	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[3,5,5]N[5]C)(H)3	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(N[5]C[5]C)(CH3)2{2|C<4>,6|H<1>}	H(CC[5]HH)	109.4690	0.030	5	109.4690	0.001	5	109.4690	0.001	5	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[6a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[3,5]C[6a]C[5])(H)3	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[3,5]C[6a]C[5])(H)3	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,6|H<1>}	H(CC[5]HH)	110.3347	1.623	3	110.3347	2.634	3	110.3347	2.634	3	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[3x5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[3x5]C[5]C)(H)3	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]C)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[3x5]C[5]C)(H)3	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]C)(CHHO)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4673	0.026	3	109.4673	0.001	3	109.4673	0.001	3	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[4,5,5]C[5]C)(H)3	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[4,5,5]C[5]C)(H)3	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2{1|S<2>,2|C<3>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.4937	0.034	3	109.4901	0.001	7	109.4901	0.001	7	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[4,5,5]C[5]C)(H)3	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[4,5,5]C[5]C)(H)3	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.4875	0.018	4	109.4901	0.001	7	109.4901	0.001	7	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5,6]-4:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[4,5,6]C[5,6a]C)(H)3	C[5](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(CH3)2	H(CC[5]HH)	C(C[5]C[4,5,6]C[5,6a]C)(H)3	C[5](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(CH3)2{2|C<4>,2|H<1>,4|C<3>}	H(CC[5]HH)	109.4762	0.034	16	109.4762	0.001	16	109.4762	0.001	16	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]N[5,6]O)(CH3)2	H(CC[5]HH)	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]N[5,6]O)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(CC[5]HH)	109.4726	0.017	8	109.4726	0.000	8	109.4751	0.001	17	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(CC[5]HH)	109.4772	0.031	9	109.4772	0.001	9	109.4751	0.001	17	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[4,5]N[5]C)(H)3	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[4,5]N[5]C)(H)3	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(CH3)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(CC[5]HH)	109.4748	0.033	4	109.4748	0.001	4	109.4748	0.001	4	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(CC[5]HH)	109.4720	0.013	2	109.4727	0.000	3	109.4691	0.001	81	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3){2|H<1>,2|O<2>,3|C<4>}	H(CC[5]HH)	109.4740	0.000	1	109.4727	0.000	3	109.4691	0.001	81	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CH3)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4648	0.043	4	109.4648	0.002	4	109.4691	0.001	81	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CH3)2{1|C<4>,4|C<3>}	H(CC[5]HH)	109.4580	0.036	5	109.4580	0.001	5	109.4691	0.001	81	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)2{1|Cl<1>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4820	0.028	4	109.4820	0.001	4	109.4691	0.001	81	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(CH3)2{1|H<1>,1|N<3>,2|C<4>}	H(CC[5]HH)	109.4569	0.052	9	109.4569	0.003	9	109.4691	0.001	81	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)2{1|N<2>,4|C<3>}	H(CC[5]HH)	109.4635	0.046	4	109.4749	0.001	7	109.4691	0.001	81	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)2{2|N<2>,3|C<3>}	H(CC[5]HH)	109.4900	0.020	3	109.4749	0.001	7	109.4691	0.001	81	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(CHHN)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(CHHN)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4670	0.020	5	109.4670	0.000	5	109.4691	0.001	81	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4813	0.031	6	109.4813	0.001	6	109.4691	0.001	81	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CH3)2{1|H<1>,2|C<4>}	H(CC[5]HH)	109.4685	0.017	8	109.4685	0.000	8	109.4691	0.001	81	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]N)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]N)(CH3)2{1|H<1>,2|C<4>}	H(CC[5]HH)	109.4942	0.024	4	109.4942	0.001	4	109.4691	0.001	81	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]O)(CH3)2{1|N<3>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4700	0.026	5	109.4700	0.001	5	109.4691	0.001	81	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)2{4|C<3>}	H(CC[5]HH)	109.4593	0.036	6	109.4593	0.001	6	109.4691	0.001	81	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CH3)2{1|O<2>,2|C<4>,5|H<1>}	H(CC[5]HH)	109.4658	0.039	10	109.4658	0.002	10	109.4691	0.001	81	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]O)(CH3)2{1|S<1>,2|C<4>,3|C<3>}	H(CC[5]HH)	109.4712	0.044	5	109.4712	0.002	5	109.4691	0.001	81	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,5]C[6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]N[5]HH)(CH3){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(CC[5]HH)	109.5053	0.049	3	109.5053	0.002	3	109.4955	0.002	6	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,5]C[6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[6a]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	H(CC[5]HH)	109.4857	0.038	3	109.4857	0.001	3	109.4955	0.002	6	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]N[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]N[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]C)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	H(CC[5]HH)	109.4696	0.037	5	109.4696	0.001	5	109.4886	0.001	10	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]N[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]Ru)(N[5]C[6a]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]N[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]Ru)(N[5]C[6a]C[5])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	H(CC[5]HH)	109.5076	0.026	5	109.5076	0.001	5	109.4886	0.001	10	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3){2|C<4>,3|H<1>,4|C<3>}	H(CC[5]HH)	109.4830	0.004	2	109.4830	0.000	2	109.4830	0.000	2	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(CC[5]HH)	109.4719	0.036	12	109.4719	0.001	12	109.5230	1.075	73	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(CH3)2{1|H<1>,4|C<4>}	H(CC[5]HH)	110.0322	1.679	5	110.0322	2.818	5	109.5230	1.075	73	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4820	0.021	3	109.4756	0.000	5	109.5230	1.075	73	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4660	0.011	2	109.4756	0.000	5	109.5230	1.075	73	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)2{3|C<4>,3|H<1>}	H(CC[5]HH)	109.4648	0.033	9	109.4648	0.001	9	109.5230	1.075	73	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[5]HH)	109.4760	0.000	1	109.4760	0.000	1	109.5230	1.075	73	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(CC[5]HH)	109.4482	0.032	5	109.3417	1.620	29	109.5230	1.075	73	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	108.8357	2.946	6	109.3417	1.620	29	109.5230	1.075	73	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2{1|H<1>,4|C<4>}	H(CC[5]HH)	109.4763	0.024	4	109.3417	1.620	29	109.5230	1.075	73	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2{2|H<1>,3|C<4>}	H(CC[5]HH)	109.4820	0.048	14	109.3417	1.620	29	109.5230	1.075	73	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4690	0.000	1	109.4690	0.000	1	109.5230	1.075	73	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]H)(CH3)2{1|O<1>,2|C<4>,3|H<1>}	H(CC[5]HH)	110.2593	1.740	6	110.2593	3.027	6	109.5230	1.075	73	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CF3)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CF3)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4620	0.000	1	109.4620	0.000	1	109.5230	1.075	73	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]N[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]N[5])(CH3)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4800	0.029	4	109.4800	0.001	4	109.5230	1.075	73	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:N[5,5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]N[5,5]C)(H)3	C[5](C[5,6]C[5,5,6]C[6]H)(N[5,5]C[3x5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]N[5,5]C)(H)3	C[5](C[5,6]C[5,5,6]C[6]H)(N[5,5]C[3x5]C[5])(CH3)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4654	0.029	9	109.4654	0.001	9	109.4681	0.001	20	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:N[5,5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]N[5,5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]N[5,5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(CH3)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(CC[5]HH)	109.4729	0.035	7	109.4704	0.001	11	109.4681	0.001	20	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:N[5,5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]N[5,5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]N[5,5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(CH3)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4660	0.019	4	109.4704	0.001	11	109.4681	0.001	20	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]N[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]N[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]N[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]N[5])(CH3)2{1|N<2>,1|S<2>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4742	0.031	6	109.4742	0.001	6	109.4771	0.002	37	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]N[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]N[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	H(CC[5]HH)	109.4851	0.055	15	109.4851	0.003	15	109.4771	0.002	37	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]N[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]N[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(N[5]N[5]C)(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	109.4667	0.030	6	109.4667	0.001	6	109.4771	0.002	37	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]N[5]C)(H)3	C[5](C[5,6]N[5,6]S[6]H)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]N[5]C)(H)3	C[5](C[5,6]N[5,6]S[6]H)(N[5]C[5]C)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HH)	109.4815	0.047	6	109.4815	0.002	6	109.4771	0.002	37	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]N[5]C)(H)3	C[5](C[5,6]N[5,6]S[6]H)(N[5]C[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]N[5]C)(H)3	C[5](C[5,6]N[5,6]S[6]H)(N[5]C[5]H)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HH)	109.4603	0.016	4	109.4603	0.000	4	109.4771	0.002	37	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[3,5]HO)(C[5]C[3,5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[3,5]HO)(C[5]C[3,5]O)(CH3)2{1|C<4>,2|H<1>}	H(CC[5]HH)	109.4592	0.012	4	109.4592	0.000	4	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CHHO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4360	0.177	3	109.4360	0.031	3	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(CH3)2{1|H<1>,3|C<4>}	H(CC[5]HH)	109.4780	0.028	5	109.4780	0.001	5	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CC[5a]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CC[5a]HO)(CH3){1|C<3>,1|C<4>,1|O<2>}	H(CC[5]HH)	109.4753	0.028	6	109.4753	0.001	6	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3)2{1|N<3>,2|C<4>}	H(CC[5]HH)	109.4843	0.033	4	109.4843	0.001	4	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(CH3)2{1|C<3>,1|N<3>}	H(CC[5]HH)	109.4669	0.046	15	109.4669	0.002	15	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4765	0.033	4	109.4765	0.001	4	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	109.4854	0.048	5	109.4854	0.002	5	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]N[5,6]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]N[5,6]C)(CH3)2{1|B<4>,1|C<3>}	H(CC[5]HH)	109.4751	0.029	9	109.4751	0.001	9	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HO)(C[5]C[5,6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HO)(C[5]C[5,6]H)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	H(CC[5]HH)	109.5008	0.026	4	109.5008	0.001	4	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CNiHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CNiHH)(CH3){2|C<3>}	H(CC[5]HH)	109.4673	0.025	3	109.4673	0.001	3	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2{2|C<3>}	H(CC[5]HH)	110.0088	0.824	21	110.0088	0.679	21	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(CH3)2{2|C<3>}	H(CC[5]HH)	109.4685	0.036	6	109.4685	0.001	6	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)(CH3){2|C<3>}	H(CC[5]HH)	109.4685	0.005	2	109.4685	0.000	2	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	110.6672	3.100	12	110.6672	9.612	12	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]C)(CH3)2{1|Co<5>,1|N<2>}	H(CC[5]HH)	111.0267	3.143	12	110.0376	3.974	33	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]C)(CH3)2{1|Fe<4>,1|N<2>}	H(CC[5]HH)	109.4740	0.047	7	110.0376	3.974	33	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]C)(CH3)2{1|Ni<4>,1|N<2>}	H(CC[5]HH)	109.4716	0.040	14	110.0376	3.974	33	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]N)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]N)(CH3)2{1|Co<5>,1|C<3>}	H(CC[5]HH)	111.3780	3.079	11	110.1261	3.907	32	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]N)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]N)(CH3)2{1|Fe<4>,1|C<3>}	H(CC[5]HH)	109.4700	0.036	9	110.1261	3.907	32	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]N)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]N)(CH3)2{1|Ni<4>,1|C<3>}	H(CC[5]HH)	109.4706	0.050	12	110.1261	3.907	32	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.8015	2.150	11	109.8015	4.622	11	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3){1|O<1>,2|H<1>}	H(CC[5]HH)	111.7733	0.399	3	110.8536	1.666	5	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3){3|H<1>}	H(CC[5]HH)	109.4740	0.017	2	110.8536	1.666	5	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(CH3){1|O<1>,2|H<1>}	H(CC[5]HH)	109.4553	0.027	3	109.4553	0.001	3	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	H(CC[5]HH)	109.4690	0.044	5	109.4690	0.002	5	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,3|H<1>}	H(CC[5]HH)	109.5010	0.030	2	109.4787	0.002	9	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4727	0.045	3	109.4787	0.002	9	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,1|O<2>}	H(CC[5]HH)	109.5040	0.031	2	109.4787	0.002	9	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){4|H<1>}	H(CC[5]HH)	109.4400	0.035	2	109.4787	0.002	9	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[3]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[3]HH)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4480	0.035	3	109.4480	0.001	3	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3){2|H<1>}	H(CC[5]HH)	109.4783	0.021	3	109.4778	0.000	5	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3){4|H<1>}	H(CC[5]HH)	109.4770	0.007	2	109.4778	0.000	5	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){1|H<1>}	H(CC[5]HH)	98.0182	4.619	3	106.8278	28.780	13	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	H(CC[5]HH)	109.4695	0.047	8	106.8278	28.780	13	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){4|H<1>}	H(CC[5]HH)	109.4755	0.005	2	106.8278	28.780	13	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)(CH3){4|H<1>}	H(CC[5]HH)	109.4760	0.034	6	109.4760	0.001	6	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4888	0.026	4	109.4888	0.001	4	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<5>,1|C<3>}	H(CC[5]HH)	109.4460	0.024	3	109.4630	0.001	33	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<5>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4900	0.027	2	109.4630	0.001	33	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<6>,1|C<3>}	H(CC[5]HH)	109.4593	0.036	15	109.4630	0.001	33	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<6>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4671	0.031	13	109.4630	0.001	33	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CF3)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CF3)(CH3){1|C<3>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4590	0.053	10	109.4590	0.003	10	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)2{1|Co<5>,1|C<3>}	H(CC[5]HH)	109.4567	0.030	3	109.4641	0.002	30	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)2{1|Co<6>,1|C<3>}	H(CC[5]HH)	109.4650	0.041	27	109.4641	0.002	30	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)2{1|C<3>,2|H<1>}	H(CC[5]HH)	109.4671	0.020	7	109.4669	0.002	13	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)2{1|S<4>,2|H<1>}	H(CC[5]HH)	109.4667	0.067	6	109.4669	0.002	13	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]HH)(CH3){4|H<1>}	H(CC[5]HH)	109.4677	0.019	3	109.4677	0.000	3	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4660	0.006	2	109.4667	0.000	9	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4690	0.016	3	109.4667	0.000	9	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2{1|C<4>,3|H<1>}	H(CC[5]HH)	109.4652	0.026	4	109.4667	0.000	9	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)2{1|C<3>,2|H<1>}	H(CC[5]HH)	109.4730	0.056	6	109.4730	0.003	6	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)(CH3){1|C<3>,2|O<2>,3|H<1>}	H(CC[5]HH)	109.4540	0.014	2	109.4540	0.000	2	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|O<1>,2|H<1>}	H(CC[5]HH)	109.4687	0.014	3	109.4680	0.001	9	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4510	0.019	3	109.4680	0.001	9	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){3|H<1>}	H(CC[5]HH)	109.4843	0.028	3	109.4680	0.001	9	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|C<4>,2|H<1>}	H(CC[5]HH)	109.4648	0.016	5	109.4696	0.000	8	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|O<1>,2|H<1>}	H(CC[5]HH)	109.4777	0.021	3	109.4696	0.000	8	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HO)(CH3){1|C<4>,2|H<1>}	H(CC[5]HH)	109.4700	0.007	2	109.4700	0.000	2	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(CH3){3|H<1>}	H(CC[5]HH)	109.4953	0.146	3	109.4953	0.021	3	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4678	0.023	5	109.4678	0.001	5	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(CH3){4|H<1>}	H(CC[5]HH)	111.7990	1.691	3	111.7990	2.859	3	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4573	0.060	7	109.4573	0.004	7	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Al)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Al)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4751	0.024	15	109.4751	0.001	15	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]As)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]As)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	110.2741	1.314	13	110.2741	1.728	13	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4762	0.031	138	109.4762	0.001	138	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Be)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Be)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4721	0.033	19	109.4721	0.001	19	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|C<3>,1|C<4>}	H(CC[5]HH)	109.4708	0.035	5	109.4479	0.373	94	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4674	0.028	5	109.4479	0.373	94	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4645	0.048	51	109.4479	0.373	94	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|Co<4>,1|C<3>}	H(CC[5]HH)	109.4588	0.032	5	109.4479	0.373	94	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|Cu<4>,1|C<3>}	H(CC[5]HH)	109.1857	2.604	6	109.4479	0.373	94	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|Pd<4>,1|C<3>}	H(CC[5]HH)	109.4582	0.025	5	109.4479	0.373	94	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|Zn<4>,1|C<3>}	H(CC[5]HH)	109.4721	0.118	17	109.4479	0.373	94	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Co)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Co)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4804	0.032	15	109.4804	0.001	15	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Cr)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Cr)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4597	0.029	8	109.4597	0.001	8	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Fe)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Fe)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4730	0.039	62	109.4730	0.001	62	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Ga)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Ga)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4818	0.025	9	109.4818	0.001	9	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Ge)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Ge)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4617	0.034	12	109.4617	0.001	12	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4742	0.040	16	109.4769	0.001	32	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2{1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4908	0.051	5	109.4769	0.001	32	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2{3|C<4>}	H(CC[5]HH)	109.4746	0.026	11	109.4769	0.001	32	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]HO)(CH3){1|C<3>,2|H<1>}	H(CC[5]HH)	110.6840	1.160	3	110.6840	1.345	3	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(CH3){1|C<3>,2|H<1>}	H(CC[5]HH)	109.4667	0.035	3	109.4667	0.001	3	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4873	0.038	3	109.4702	0.001	35	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4662	0.019	6	109.4702	0.001	35	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4722	0.049	6	109.4702	0.001	35	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4663	0.022	9	109.4702	0.001	35	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|N<3>,1|O<1>}	H(CC[5]HH)	109.4688	0.023	8	109.4702	0.001	35	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{2|C<3>}	H(CC[5]HH)	109.4727	0.021	3	109.4702	0.001	35	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4708	0.013	20	109.4726	0.001	24	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2{1|O<1>,2|C<4>}	H(CC[5]HH)	109.4818	0.058	4	109.4726	0.001	24	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Ru)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Ru)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4717	0.039	18	109.4717	0.002	18	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4579	0.038	7	109.4597	0.002	12	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)2{1|O<1>,2|C<4>}	H(CC[5]HH)	109.4624	0.068	5	109.4597	0.002	12	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4616	0.032	5	109.4616	0.001	5	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4771	0.042	60	109.4771	0.002	60	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Sn)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Sn)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4633	0.035	4	109.4633	0.001	4	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Ti)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]Ti)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4772	0.021	12	109.4772	0.000	12	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]N)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]N)(CH3)2{1|C<4>,1|H<1>}	H(CC[5]HH)	109.4762	0.037	5	109.4762	0.001	5	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4885	0.047	2	109.4885	0.002	2	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4693	0.037	15	109.4693	0.001	15	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	H(CC[5]HH)	109.5145	0.056	6	109.5145	0.003	6	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(CH3){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4917	0.018	3	109.4917	0.000	3	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHH)(CH3){4|H<1>}	H(CC[5]HH)	109.4640	0.010	2	109.4640	0.000	2	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)(CH3){4|H<1>}	H(CC[5]HH)	109.4685	0.008	2	109.4685	0.000	2	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)2{1|C<4>,1|H<1>}	H(CC[5]HH)	109.4759	0.024	14	109.4759	0.001	14	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(CCHH)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4720	0.000	1	109.4720	0.000	1	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4928	0.020	5	108.7004	4.774	11	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CC[5]HH)	108.0400	2.898	6	108.7004	4.774	11	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(CC[5]HH)	109.4538	0.016	5	109.4624	0.000	8	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2{1|H<1>,3|C<3>}	H(CC[5]HH)	109.4767	0.015	3	109.4624	0.000	8	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CN[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CN[5]HH)(CH3){1|O<1>,3|C<3>}	H(CC[5]HH)	109.5027	0.044	3	109.5027	0.002	3	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]N[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]N[5])(CH3)2{4|C<3>}	H(CC[5]HH)	109.4650	0.024	4	109.4650	0.001	4	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,1|S<4>}	H(CC[5]HH)	109.4717	0.061	3	109.4645	0.004	25	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|S<4>,2|H<1>}	H(CC[5]HH)	109.4635	0.061	22	109.4645	0.004	25	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHO)(CH3){1|C<4>,1|O<1>}	H(CC[5]HH)	109.4743	0.030	3	109.4743	0.001	3	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHS)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHS)(CH3){1|S<4>,2|H<1>}	H(CC[5]HH)	109.4080	0.042	3	109.4080	0.002	3	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]O[5]CO)(C[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]O[5]CO)(C[5]C[5]O)(CH3)2{1|C<4>,1|H<1>}	H(CC[5]HH)	109.4620	0.011	3	109.4620	0.000	3	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]O[5]HH)(C[5]C[5]C)(CHHS)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]O[5]HH)(C[5]C[5]C)(CHHS)(CH3){1|O<1>}	H(CC[5]HH)	109.4450	0.023	3	109.4450	0.001	3	109.5197	0.982	1081	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(CC[5]HH)	109.4680	0.000	1	109.4680	0.000	1	109.6202	1.854	16	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	H(CC[5]HH)	109.4683	0.017	3	109.4683	0.000	3	109.6202	1.854	16	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CH3){1|O<2>,4|C<3>,5|H<1>}	H(CC[5]HH)	109.4577	0.021	3	109.4577	0.000	3	109.6202	1.854	16	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){4|H<1>,5|C<3>}	H(CC[5]HH)	109.7420	1.854	9	109.7420	3.439	9	109.6202	1.854	16	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5,5]HH)(N[5]C[5,5]Cu)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5,5]HH)(N[5]C[5,5]Cu)(CH3)2{1|C<4>,1|H<1>,1|N<3>}	H(CC[5]HH)	109.4613	0.023	7	109.4613	0.001	7	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)2{2|C<3>}	H(CC[5]HH)	109.4624	0.041	8	109.4624	0.002	8	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]O)(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	109.8401	0.822	29	109.8401	0.676	29	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]O)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]O)(CHHO)(CH3){1|O<1>,2|H<1>}	H(CC[5]HH)	109.4637	0.018	3	109.4637	0.000	3	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.4749	0.037	14	109.5916	0.619	73	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4699	0.026	39	109.5916	0.619	73	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	H(CC[5]HH)	110.9363	2.558	6	109.5916	0.619	73	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,3|C<4>}	H(CC[5]HH)	109.4695	0.038	4	109.5916	0.619	73	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|H<1>,2|C<4>}	H(CC[5]HH)	109.4710	0.023	8	109.5916	0.619	73	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|H<1>,3|C<4>}	H(CC[5]HH)	109.4745	0.005	2	109.5916	0.619	73	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(CH3)2{1|N<3>,2|H<1>}	H(CC[5]HH)	109.4650	0.028	4	109.4650	0.001	4	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(CH3){1|O<1>,2|H<1>}	H(CC[5]HH)	109.5943	1.622	3	109.5943	2.631	3	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)2{1|N<3>,2|H<1>}	H(CC[5]HH)	109.4641	0.042	14	109.4641	0.002	14	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CHHO)(CH3){1|O<1>,2|H<1>}	H(CC[5]HH)	110.3217	0.342	3	110.3217	0.117	3	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.9483	1.053	27	109.7459	0.683	47	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2{1|C<3>,2|H<1>}	H(CC[5]HH)	109.4930	0.026	4	109.7459	0.683	47	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2{1|H<1>,1|N<3>,2|C<4>}	H(CC[5]HH)	109.4716	0.034	5	109.7459	0.683	47	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2{1|P<3>,2|C<4>}	H(CC[5]HH)	109.4735	0.028	6	109.7459	0.683	47	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2{1|S<4>,2|C<4>}	H(CC[5]HH)	109.4566	0.043	5	109.7459	0.683	47	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHO)(CH3){1|C<4>,1|P<4>,2|H<1>}	H(CC[5]HH)	109.4885	0.025	2	109.4885	0.001	2	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]Pd)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]Pd)(CH3)2{1|N<3>,2|H<1>}	H(CC[5]HH)	109.4700	0.040	18	109.4700	0.002	18	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(CH3){4|H<1>}	H(CC[5]HH)	109.4853	0.032	3	109.4853	0.001	3	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4309	0.042	7	109.6695	1.058	13	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)2{1|C<4>}	H(CC[5]HH)	109.9478	1.537	6	109.6695	1.058	13	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]H)(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4792	0.026	8	109.4792	0.001	8	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]S)(CCCH)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]S)(CCCH)(CH3){1|C<3>}	H(CC[5]HH)	109.4963	0.041	4	109.4963	0.002	4	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]S)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]N[5]S)(CH3)2{1|C<4>}	H(CC[5]HH)	111.1365	2.239	6	111.1365	5.014	6	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]O[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]O[5]C)(CH3)2{1|H<1>,1|O<2>}	H(CC[5]HH)	109.1941	2.395	18	109.1941	5.736	18	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HN)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HN)(N[5]C[5]O)(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	109.4830	0.028	4	109.4830	0.001	4	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)2{2|C<3>}	H(CC[5]HH)	109.4612	0.029	5	109.4612	0.001	5	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(CH3){5|C<3>}	H(CC[5]HH)	109.4922	0.029	4	109.4922	0.001	4	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(CH3)2{1|H<1>,5|C<3>}	H(CC[5]HH)	109.4572	0.044	5	109.4572	0.002	5	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5,5]CC)(N[5]C[5,5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5,5]CC)(N[5]C[5,5]H)(CH3)2{1|H<1>,1|N<3>,1|O<2>}	H(CC[5]HH)	109.4763	0.058	28	109.4763	0.003	28	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(CH3)2{1|B<4>,1|C<3>,2|H<1>}	H(CC[5]HH)	111.4798	1.924	6	111.4798	3.702	6	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Co)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Co)(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4785	0.060	12	109.4785	0.004	12	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Cr)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Cr)(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4797	0.050	32	109.4797	0.002	32	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Cu)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Cu)(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4693	0.029	4	109.4693	0.001	4	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(CH3)2{1|C<3>,1|O<2>}	H(CC[5]HH)	109.4768	0.043	12	109.4955	0.003	17	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(CH3)2{1|C<3>,1|O<3>}	H(CC[5]HH)	109.5402	0.053	5	109.4955	0.003	17	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Mn)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Mn)(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4670	0.025	5	109.4670	0.001	5	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Ni)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Ni)(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4670	0.033	33	109.4670	0.001	33	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4729	0.043	41	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>}	H(CC[5]HH)	109.5012	0.062	16	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4314	1.415	1519	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|C<3>,1|O<2>}	H(CC[5]HH)	109.4965	1.464	124	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4852	0.363	68	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|C<4>,1|O<1>}	H(CC[5]HH)	109.5276	1.484	81	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|C<4>,1|O<2>}	H(CC[5]HH)	109.3333	2.969	18	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|C<4>}	H(CC[5]HH)	109.4775	0.019	4	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Co<5>,1|C<3>}	H(CC[5]HH)	109.4662	0.072	9	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Co<6>,1|C<3>}	H(CC[5]HH)	109.4890	0.034	4	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Cr<6>,1|C<3>}	H(CC[5]HH)	109.4732	0.043	30	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Cu<4>,1|C<3>}	H(CC[5]HH)	109.4597	0.048	6	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Gd<15>,1|C<3>,1|O<2>}	H(CC[5]HH)	109.4813	0.057	6	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Mn<6>,1|C<3>}	H(CC[5]HH)	109.4415	0.053	4	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|N<3>,1|O<1>}	H(CC[5]HH)	109.2740	1.843	24	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|N<3>}	H(CC[5]HH)	110.4505	1.350	6	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Ni<5>,1|C<3>}	H(CC[5]HH)	109.4622	0.026	5	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Ni<6>,1|C<3>}	H(CC[5]HH)	109.4598	0.039	28	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Pd<4>,1|C<3>}	H(CC[5]HH)	109.4747	0.048	10	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Pt<4>,1|C<3>}	H(CC[5]HH)	109.4385	0.031	4	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Pt<4>,1|O<1>}	H(CC[5]HH)	109.4543	0.040	26	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Tb<15>,1|C<3>,1|O<2>}	H(CC[5]HH)	109.4885	0.048	4	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Zn<5>,1|C<3>}	H(CC[5]HH)	109.4798	0.048	28	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|Zn<6>,1|C<3>}	H(CC[5]HH)	109.4772	0.028	5	109.4455	1.804	2070	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Pd)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Pd)(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4771	0.044	9	109.4771	0.002	9	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Pt)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Pt)(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4790	0.028	4	109.4790	0.001	4	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Zn)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Zn)(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4707	0.037	26	109.4707	0.001	26	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHN)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHN)(CH3){1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4750	0.107	6	109.4750	0.012	6	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ag)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ag)(CH3)2{1|C<4>}	H(CC[5]HH)	109.4750	0.026	3	109.4750	0.001	3	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4930	0.006	2	109.4930	0.000	2	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{1|B<4>}	H(CC[5]HH)	109.4700	0.033	26	109.3474	1.220	82	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,1|H<1>}	H(CC[5]HH)	109.4710	0.024	3	109.3474	1.220	82	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4751	0.064	10	109.3474	1.220	82	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{1|O<1>}	H(CC[5]HH)	109.1742	1.621	31	109.3474	1.220	82	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{2|C<4>}	H(CC[5]HH)	109.3915	1.295	12	109.3474	1.220	82	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ce)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ce)(CH3)2{1|C<5>}	H(CC[5]HH)	109.4739	0.045	11	109.4739	0.002	11	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2{1|B<4>}	H(CC[5]HH)	109.4757	0.049	58	109.4716	0.004	145	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4666	0.077	66	109.4716	0.004	145	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CH3)2{1|C<4>}	H(CC[5]HH)	109.4760	0.039	21	109.4716	0.004	145	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4618	0.040	15	109.4645	0.002	60	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CH3)2{1|C<4>}	H(CC[5]HH)	109.4654	0.051	45	109.4645	0.002	60	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4694	0.049	145	109.4699	0.002	169	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CH3)2{1|C<4>}	H(CC[5]HH)	109.4725	0.037	24	109.4699	0.002	169	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCHI)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCHI)(CH3){1|O<1>}	H(CC[5]HH)	109.4645	0.009	2	109.4645	0.000	2	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]H)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4687	0.036	30	109.4696	0.001	35	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]H)(CH3)2{1|C<4>}	H(CC[5]HH)	109.4750	0.034	5	109.4696	0.001	35	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]H)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]H)(CHHO)(CH3){1|O<1>}	H(CC[5]HH)	109.4680	0.045	3	109.4680	0.002	3	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Hf)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Hf)(CH3)2{1|C<5>}	H(CC[5]HH)	109.4494	0.046	8	109.4494	0.002	8	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CH3)2{1|B<4>}	H(CC[5]HH)	109.4765	0.062	22	109.4717	0.010	115	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4706	0.107	93	109.4717	0.010	115	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Li)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Li)(CH3)2{1|B<4>}	H(CC[5]HH)	109.4681	0.035	16	109.4628	0.001	20	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Li)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Li)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4417	0.022	4	109.4628	0.001	20	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CH3)2{1|B<4>}	H(CC[5]HH)	109.4735	0.031	46	109.4729	0.001	87	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4722	0.041	41	109.4729	0.001	87	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CH3)2{1|C<4>}	H(CC[5]HH)	109.4669	0.062	14	109.4669	0.004	14	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2{1|B<4>}	H(CC[5]HH)	109.4820	0.026	8	109.4693	0.003	104	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4694	0.026	26	109.4693	0.003	104	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CH3)2{1|C<4>}	H(CC[5]HH)	109.4677	0.060	70	109.4693	0.003	104	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]O)(CH3)2{2|C<3>}	H(CC[5]HH)	109.4656	0.040	58	109.4656	0.002	58	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)2{1|C<3>}	H(CC[5]HH)	109.5631	0.440	46	109.5029	0.068	136	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CH3)2{1|C<4>}	H(CC[5]HH)	109.4721	0.042	90	109.5029	0.068	136	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Pt)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Pt)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4686	0.038	5	109.4686	0.001	5	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Re)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Re)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4643	0.049	23	109.4643	0.002	23	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CH3)2{1|B<4>}	H(CC[5]HH)	109.4682	0.047	35	109.4707	0.002	41	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4852	0.028	6	109.4707	0.002	41	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4822	0.057	9	109.4838	0.002	37	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2{1|C<4>}	H(CC[5]HH)	109.4831	0.043	23	109.4838	0.002	37	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CH3)2{1|N<3>}	H(CC[5]HH)	109.4896	0.047	5	109.4838	0.002	37	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrCH)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrCH)(CH3){1|O<1>}	H(CC[5]HH)	109.4553	0.031	3	109.4553	0.001	3	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Sn)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Sn)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4423	0.104	20	109.4423	0.011	20	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ti)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Ti)(CH3)2{1|C<4>}	H(CC[5]HH)	109.4748	0.041	6	109.4748	0.002	6	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]V)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]V)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4646	0.027	8	109.4646	0.001	8	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)2{1|B<4>}	H(CC[5]HH)	109.4700	0.041	120	109.4684	0.002	173	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4649	0.043	53	109.4684	0.002	173	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]S[5]HH)(N[5]C[5]H)(CClHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]S[5]HH)(N[5]C[5]H)(CClHH)(CH3){1|C<3>}	H(CC[5]HH)	109.4690	0.046	5	109.4690	0.002	5	109.4698	1.063	3908	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:P-4:	C-4:	C(C[5]C[5]N[5]P)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(PO3)	H(CC[5]HH)	C(C[5]C[5]N[5]P)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(PO3){1|C<4>,3|H<1>}	H(CC[5]HH)	111.1650	0.299	3	111.1650	0.089	3	110.2654	1.433	12	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:P-4:	C-4:	C(C[5]C[5]N[5]P)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3)	H(CC[5]HH)	C(C[5]C[5]N[5]P)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3){2|C<4>,2|H<1>}	H(CC[5]HH)	109.5020	0.049	3	109.9656	1.543	9	110.2654	1.433	12	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:P-4:	C-4:	C(C[5]C[5]N[5]P)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3)	H(CC[5]HH)	C(C[5]C[5]N[5]P)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3){3|H<1>}	H(CC[5]HH)	109.0747	1.101	3	109.9656	1.543	9	110.2654	1.433	12	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:P-4:	C-4:	C(C[5]C[5]N[5]P)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3)	H(CC[5]HH)	C(C[5]C[5]N[5]P)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3){4|H<1>}	H(CC[5]HH)	111.3200	0.832	3	109.9656	1.543	9	110.2654	1.433	12	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Ba)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Ba)(CH3)2{2|C<3>}	H(CC[5]HH)	109.4727	0.068	86	109.4727	0.005	86	109.4720	0.004	161	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Mg)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Mg)(CH3)2{2|C<3>}	H(CC[5]HH)	109.4772	0.048	18	109.4772	0.002	18	109.4720	0.004	161	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Sr)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a]Sr)(CH3)2{2|C<3>}	H(CC[5]HH)	109.4742	0.043	11	109.4742	0.002	11	109.4720	0.004	161	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Co)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Co)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4623	0.024	6	109.4640	0.001	11	109.4720	0.004	161	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Co)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Co)(CH3)2{2|O<2>}	H(CC[5]HH)	109.4660	0.035	5	109.4640	0.001	11	109.4720	0.004	161	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Cu)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Cu)(CH3)2{2|O<2>}	H(CC[5]HH)	109.4628	0.071	5	109.4628	0.005	5	109.4720	0.004	161	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Li)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Li)(CH3)2{1|C<4>}	H(CC[5]HH)	109.4767	0.040	6	109.4767	0.002	6	109.4720	0.004	161	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Mg)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Mg)(CH3)2{1|C<4>}	H(CC[5]HH)	109.4695	0.063	4	109.4577	0.002	15	109.4720	0.004	161	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Mg)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Mg)(CH3)2{1|H<1>,1|N<3>}	H(CC[5]HH)	109.4522	0.029	4	109.4577	0.002	15	109.4720	0.004	161	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Mg)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Mg)(CH3)2{1|O<2>,1|O<3>}	H(CC[5]HH)	109.4387	0.064	4	109.4577	0.002	15	109.4720	0.004	161	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Mg)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Mg)(CH3)2{2|H<1>}	H(CC[5]HH)	109.4743	0.030	3	109.4577	0.002	15	109.4720	0.004	161	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Ru)(CH3)2	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5]Ru)(CH3)2{1|C<4>}	H(CC[5]HH)	109.4884	0.085	9	109.4884	0.007	9	109.4720	0.004	161	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]C[5]HH)(S[5]S[5]Ru)(CH3)2	H(CC[5]HH)	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]C[5]HH)(S[5]S[5]Ru)(CH3)2{1|Ru<6>,2|H<1>}	H(CC[5]HH)	109.4500	0.065	6	109.4500	0.004	6	109.4713	0.002	33	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[4,5]CH)(S[5]C[4,5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[4,5]CH)(S[5]C[4,5]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4760	0.042	27	109.4760	0.002	27	109.4713	0.002	33	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:3:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]HH)(N[5]C[5]C)(CH3)2	H(CC[5]HH)	C(C[5]N[5]2C)(H)3	C[5](N[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4717	0.044	44	109.4717	0.002	44	109.4717	0.002	44	109.4829	0.965	5548	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[3]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[3]C[5]O[5])(H)3	C[5](C[3]C[3,6]O[3]H)(C[5]C[5,6]HH)(O[5]C[5,6])(CH3)	H(CC[5]HH)	C(C[5]C[3]C[5]O[5])(H)3	C[5](C[3]C[3,6]O[3]H)(C[5]C[5,6]HH)(O[5]C[5,6])(CH3){2|C<4>,3|C<3>}	H(CC[5]HH)	109.4653	0.039	3	109.4653	0.002	3	109.4653	0.002	3	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[4]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[4]C[5]O[5])(H)3	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[4]C[5]O[5])(H)3	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(CC[5]HH)	109.4860	0.012	3	109.4860	0.000	3	109.4860	0.000	3	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O-2:C-4:	C-4:	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC[6a])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(OC[6a])(CH3){1|C<4>,2|O<2>,4|H<1>}	H(CC[5]HH)	109.4533	0.015	3	109.4533	0.000	3	109.4533	0.000	3	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5,5]C[5]O[5])(H)3	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[3,5]C[5]H)(O[5]C[5,5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5]O[5])(H)3	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[3,5]C[5]H)(O[5]C[5,5])(CH3){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	H(CC[5]HH)	109.4488	0.069	4	109.4488	0.005	4	109.4538	0.004	5	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5,5]C[5]O[5])(H)3	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]2H)(O[5]C[5,5])(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5]O[5])(H)3	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]2H)(O[5]C[5,5])(CH3){2|C<3>,5|C<4>,5|H<1>}	H(CC[5]HH)	109.4740	0.000	1	109.4740	0.000	1	109.4538	0.004	5	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(CN[5a]HH)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]O[5]HH)(CN[5a]HH)(N[5]C[5])(CH3){1|C<3>}	H(CC[5]HH)	109.4675	0.022	2	109.4675	0.000	2	109.4675	0.000	2	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(CC[6,6]HH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(CC[6,6]HH)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4603	0.052	3	109.4603	0.003	3	109.4700	0.002	4	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(CC[6a]HO)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HO)(CC[6a]HO)(O[5]C[5])(CH3){1|C<3>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4990	0.000	1	109.4990	0.000	1	109.4700	0.002	4	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]2N[5])(H)3	C[5](C[5]C[5,6a]N[5]O)(C[5]S[5]HO)(N[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2N[5])(H)3	C[5](C[5]C[5,6a]N[5]O)(C[5]S[5]HO)(N[5]C[5])(CH3){2|C<4>,3|C<3>}	H(CC[5]HH)	109.4843	0.011	3	109.4843	0.000	3	109.4843	0.000	3	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,5]C[5]C)(C[5]C[5]CH)(O[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,5]C[5]C)(C[5]C[5]CH)(O[5]N[5])(CH3){2|O<2>,3|H<1>,4|C<4>}	H(CC[5]HH)	109.4688	0.013	4	109.4688	0.000	4	109.5259	0.269	107	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CH3){1|C<3>,1|O<2>,4|C<4>}	H(CC[5]HH)	109.0203	2.072	3	109.0203	4.294	3	109.5259	0.269	107	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,3|C<4>,5|H<1>}	H(CC[5]HH)	109.5052	0.061	4	109.4745	0.003	55	109.5259	0.269	107	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,4|C<4>,4|H<1>}	H(CC[5]HH)	109.4622	0.024	4	109.4745	0.003	55	109.5259	0.269	107	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<2>,4|C<4>,5|H<1>}	H(CC[5]HH)	109.4374	0.026	5	109.4745	0.003	55	109.5259	0.269	107	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<2>,4|H<1>,5|C<4>}	H(CC[5]HH)	109.5030	0.007	2	109.4745	0.003	55	109.5259	0.269	107	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){4|C<4>,6|H<1>}	H(CC[5]HH)	109.4758	0.058	40	109.4745	0.003	55	109.5259	0.269	107	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]CH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>,3|C<4>}	H(CC[5]HH)	111.2123	0.951	3	111.2123	0.904	3	109.5259	0.269	107	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4603	0.028	3	109.4603	0.001	3	109.5259	0.269	107	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3){1|O<2>,3|H<1>,4|C<4>}	H(CC[5]HH)	109.4883	0.024	6	109.4883	0.001	6	109.5259	0.269	107	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4775	0.026	4	109.4946	0.046	24	109.5259	0.269	107	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<2>,3|C<4>,4|H<1>}	H(CC[5]HH)	109.6267	0.695	3	109.4946	0.046	24	109.5259	0.269	107	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){3|C<4>,5|H<1>}	H(CC[5]HH)	109.4705	0.043	8	109.4946	0.046	24	109.5259	0.269	107	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){4|C<4>,4|H<1>}	H(CC[5]HH)	109.4797	0.034	9	109.4946	0.046	24	109.5259	0.269	107	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CH3){1|C<3>,1|O<2>,4|C<4>}	H(CC[5]HH)	109.6020	0.961	9	109.6020	0.923	9	109.5259	0.269	107	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]N[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]N[5])(CH3){3|C<3>,4|H<1>}	H(CC[5]HH)	109.4687	0.017	3	109.4687	0.000	3	109.4709	0.006	8	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(CH3){1|O<1>,2|C<3>,4|H<1>}	H(CC[5]HH)	109.4663	0.137	3	109.4722	0.010	5	109.4709	0.006	8	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(CH3){1|O<1>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4810	0.017	2	109.4722	0.010	5	109.4709	0.006	8	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|C<3>,3|C<4>,6|H<1>}	H(CC[5]HH)	109.4825	0.047	2	109.4825	0.002	2	109.4696	0.002	14	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3)	H(CC[5]HH)	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3){1|O<2>,3|C<4>,4|H<1>}	H(CC[5]HH)	109.4712	0.059	6	109.4712	0.003	6	109.4696	0.002	14	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	H(CC[5]HH)	109.4613	0.034	3	109.4613	0.001	3	109.4696	0.002	14	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:2:4:	4:	C[5]-4:H-1:H-1:H-1:	C[6]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(CH3)	H(CC[5]HH)	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(CH3){1|O<1>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4660	0.022	3	109.4660	0.000	3	109.4696	0.002	14	109.5090	0.190	152	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[3]-4:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[3]C[5]N[5])(H)3	C[5](C[3]C[3]O[3]C)(C[5]C[5]HH)(N[5]N[5]S)(CH3)	H(CC[5]HH)	C(C[5]C[3]C[5]N[5])(H)3	C[5](C[3]C[3]O[3]C)(C[5]C[5]HH)(N[5]N[5]S)(CH3){1|C<3>,2|H<1>}	H(CC[5]HH)	109.4720	0.017	4	109.4720	0.000	4	109.4720	0.000	4	109.4661	0.001	79	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5]C[6a]C[5])(H)3	C[5](C[5,5]N[5,5a]C[5]N[5])(C[5]C[5,5a]C[6a]C)(C[6a]C[6a]2)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[6a]C[5])(H)3	C[5](C[5,5]N[5,5a]C[5]N[5])(C[5]C[5,5a]C[6a]C)(C[6a]C[6a]2)(CH3){5|H<1>,8|C<3>}	H(CC[5]HH)	109.4877	0.020	3	109.4877	0.000	3	109.4877	0.000	3	109.4661	0.001	79	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)(CH3){1|O<1>,2|H<1>}	H(CC[5]HH)	109.4587	0.034	3	109.4587	0.001	3	109.4587	0.001	3	109.4661	0.001	79	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]3)(H)3	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]CH)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]CH)(C[5]C[5]O)(CH3){3|C<4>,3|H<1>}	H(CC[5]HH)	109.4570	0.028	3	109.4570	0.001	3	109.4696	0.001	24	109.4661	0.001	79	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]3)(H)3	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(CH3){1|O<1>,2|H<1>,4|C<4>}	H(CC[5]HH)	109.4607	0.024	3	109.4607	0.001	3	109.4696	0.001	24	109.4661	0.001	79	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]3)(H)3	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4790	0.021	6	109.4790	0.000	6	109.4696	0.001	24	109.4661	0.001	79	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]3)(H)3	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CH)(C[5]C[5]H)(CH3)	H(CC[5]HH)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CH)(C[5]C[5]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.5000	0.017	2	109.5000	0.000	2	109.4696	0.001	24	109.4661	0.001	79	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)(CH3){1|Br<1>,1|C<3>,3|C<4>,5|H<1>}	H(CC[5]HH)	109.4833	0.068	3	109.4833	0.005	3	109.4696	0.001	24	109.4661	0.001	79	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(CC[5]HH)	109.4070	0.010	2	109.4070	0.000	2	109.4696	0.001	24	109.4661	0.001	79	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]O)(CH3){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4833	0.024	3	109.4833	0.001	3	109.4696	0.001	24	109.4661	0.001	79	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(CH3){3|C<3>,3|H<1>}	H(CC[5]HH)	109.4645	0.015	2	109.4645	0.000	2	109.4696	0.001	24	109.4661	0.001	79	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-3:C-4:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(CH3)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdC)(CH3){1|N<3>,3|H<1>}	H(CC[5]HH)	109.4611	0.034	7	109.4611	0.001	7	109.4625	0.002	25	109.4661	0.001	79	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-3:C-4:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NMnC)(CH3)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NMnC)(CH3){1|N<3>,3|H<1>}	H(CC[5]HH)	109.4548	0.042	12	109.4548	0.002	12	109.4625	0.002	25	109.4661	0.001	79	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-3:C-4:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NZnC)(CH3)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NZnC)(CH3){1|N<3>,3|H<1>}	H(CC[5]HH)	109.4793	0.049	6	109.4793	0.002	6	109.4625	0.002	25	109.4661	0.001	79	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5]2N[5])(H)3	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(N[5]C[5]Co)(CH3)	H(CC[5]HH)	C(C[5]C[5]2N[5])(H)3	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(N[5]C[5]Co)(CH3){1|C<3>,2|H<1>,4|C<4>}	H(CC[5]HH)	109.4920	0.012	3	109.4607	0.001	17	109.4607	0.001	17	109.4661	0.001	79	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5]2N[5])(H)3	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(N[5]C[5]Co)(CH3)	H(CC[5]HH)	C(C[5]C[5]2N[5])(H)3	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(N[5]C[5]Co)(CH3){2|C<3>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.4540	0.033	14	109.4607	0.001	17	109.4607	0.001	17	109.4661	0.001	79	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]2N[6])(H)3	C[5](C[5]C[6a]C[5]H)(N[6]C[6]2H)(C[5]C[5]O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2N[6])(H)3	C[5](C[5]C[6a]C[5]H)(N[6]C[6]2H)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(CC[5]HH)	109.4770	0.040	3	109.4770	0.002	3	109.4770	0.002	3	109.4661	0.001	79	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(Br)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CBrHH)(H)	H(CC[5]BrH)	C(C[5]C[5]2H)(Br)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CBrHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(CC[5]BrH)	108.8935	0.072	4	108.8935	0.005	4	108.8935	0.005	4	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:Cl-1:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[4,5]C[5]H)(Cl)(H)2	C[5](C[4,5]C[4,5]C[4]Cl)(C[5]O[5]HH)(CClHH)(H)	H(CC[5]ClH)	C(C[5]C[4,5]C[5]H)(Cl)(H)2	C[5](C[4,5]C[4,5]C[4]Cl)(C[5]O[5]HH)(CClHH)(H){1|C<3>,1|N<3>,1|O<1>}	H(CC[5]ClH)	109.4260	0.065	2	109.4260	0.004	2	109.4260	0.004	2	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:Cl-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(Cl)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]Cl2)(CClHH)(H)	H(CC[5]ClH)	C(C[5]C[5,5]C[5]H)(Cl)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]Cl2)(CClHH)(H){1|O<1>,2|C<4>,2|H<1>}	H(CC[5]ClH)	109.7110	0.021	4	109.7110	0.000	4	109.7110	0.000	4	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(Cl)(H)2	C[5](C[5]C[5]CH)2(CClHH)(H)	H(CC[5]ClH)	C(C[5]C[5]2H)(Cl)(H)2	C[5](C[5]C[5]CH)2(CClHH)(H){1|C<4>,1|H<1>}	H(CC[5]ClH)	109.0470	0.041	4	109.0470	0.002	4	109.2911	0.059	10	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(Cl)(H)2	C[5](C[5]C[5]Cl2)(C[5]N[5]HH)(CClHH)(H)	H(CC[5]ClH)	C(C[5]C[5]2H)(Cl)(H)2	C[5](C[5]C[5]Cl2)(C[5]N[5]HH)(CClHH)(H){1|C<4>,1|H<1>,1|S<4>}	H(CC[5]ClH)	109.5353	0.128	4	109.5353	0.016	4	109.2911	0.059	10	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(Cl)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CClHH)(H)	H(CC[5]ClH)	C(C[5]C[5]2H)(Cl)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CClHH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(CC[5]ClH)	109.2910	0.027	2	109.2910	0.001	2	109.2911	0.059	10	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]B[5]C[5]H)(H)3	C[5](B[5]C[5,5]C[6a]H)(C[5]N[5,5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]B[5]C[5]H)(H)3	C[5](B[5]C[5,5]C[6a]H)(C[5]N[5,5]HH)(CH3)(H){1|N<3>,3|C<3>}	H(CC[5]HH)	109.4815	0.020	6	109.4815	0.000	6	109.8069	1.529	12	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]B[5]C[5]H)(H)3	C[5](B[5]N[5]OO)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]B[5]C[5]H)(H)3	C[5](B[5]N[5]OO)(C[5]C[5]HH)(CH3)(H){4|H<1>}	H(CC[5]HH)	110.1323	1.763	6	110.1323	3.110	6	109.8069	1.529	12	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	B[5]-4:P[5]-4:C-4:H-1:	C-4:	C(C[5]B[5]P[5]H)(H)3	C[5](B[5]C[6a]C[5]H)(P[5]C[6a]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]B[5]P[5]H)(H)3	C[5](B[5]C[6a]C[5]H)(P[5]C[6a]C[5]H)(CH3)(H){4|C<3>,4|H<1>}	H(CC[5]HH)	109.4525	0.077	6	109.4525	0.006	6	109.4764	0.004	11	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	B[5]-4:P[5]-4:C-4:H-1:	C-4:	C(C[5]B[5]P[5]H)(H)3	C[5](B[5]C[6a]C[5]O)(P[5]C[6a]C[5]C)(CH3)(H)	H(CC[5]HH)	C(C[5]B[5]P[5]H)(H)3	C[5](B[5]C[6a]C[5]O)(P[5]C[6a]C[5]C)(CH3)(H){4|C<3>,4|H<1>}	H(CC[5]HH)	109.5150	0.037	3	109.5150	0.001	3	109.4764	0.004	11	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	B[5]-4:P[5]-4:C-4:H-1:	C-4:	C(C[5]B[5]P[5]H)(H)3	C[5](B[5]C[6a]C[5]S)(P[5]C[6a]C[5]B)(CH3)(H)	H(CC[5]HH)	C(C[5]B[5]P[5]H)(H)3	C[5](B[5]C[6a]C[5]S)(P[5]C[6a]C[5]B)(CH3)(H){4|C<3>,4|H<1>}	H(CC[5]HH)	109.4900	0.007	2	109.4900	0.000	2	109.4764	0.004	11	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5,6,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3,5,6,6]C[5]H)(H)3	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[6,6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[3,5,6,6]C[5]H)(H)3	C[5](C[3,5,6,6]C[3,5,6]C[3,6]C[6,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4825	0.005	2	109.4825	0.000	2	109.4825	0.000	2	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5,5]H)(H)3	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[3,5]C[5,5]H)(H)3	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]C[5]H)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.5350	1.096	3	109.5350	1.202	3	109.5350	1.202	3	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(H)3	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[3,5]C[5]H)(H)3	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]CH)(CH3)(H){1|C<3>,1|O<1>,2|H<1>}	H(CC[5]HH)	109.4790	0.019	3	109.4790	0.000	3	109.6409	0.437	28	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(H)3	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[3,5]C[5]H)(H)3	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(CC[5]HH)	109.4942	0.064	6	109.4942	0.004	6	109.6409	0.437	28	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(H)3	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[3,5]C[5]H)(H)3	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4643	0.017	3	109.4839	0.002	16	109.6409	0.437	28	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(H)3	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[3,5]C[5]H)(H)3	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|H<1>}	H(CC[5]HH)	109.4884	0.044	13	109.4839	0.002	16	109.6409	0.437	28	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(H)3	C[5](C[3,5]C[5,6a]C[3,6]S[3])(C[5]C[5,6a]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[3,5]C[5]H)(H)3	C[5](C[3,5]C[5,6a]C[3,6]S[3])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	H(CC[5]HH)	110.9337	1.751	3	110.9337	3.067	3	109.6409	0.437	28	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3x5,6]C[5]H)(H)3	C[5](C[3x5,6]C[3x5,6]C[5,6]2)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[3x5,6]C[5]H)(H)3	C[5](C[3x5,6]C[3x5,6]C[5,6]2)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|C<4>,6|H<1>}	H(CC[5]HH)	109.4627	0.027	4	109.4627	0.001	4	109.0097	1.390	10	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3x5,6]C[5]H)(H)3	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[3x5,6]C[5]H)(H)3	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(CC[5]HH)	107.9437	1.954	3	108.7077	2.228	6	109.0097	1.390	10	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3x5,6]C[5]H)(H)3	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[3x5,6]C[5]H)(H)3	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(CC[5]HH)	109.4717	0.010	3	108.7077	2.228	6	109.0097	1.390	10	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3x5,6]-4:S[5]-4:C-4:H-1:	C-4:	C(C[5]C[3x5,6]S[5]H)(H)3	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[3x5,6]S[5]H)(H)3	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	H(CC[5]HH)	109.4743	0.047	3	109.4743	0.002	3	109.4743	0.002	3	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3x5]C[5]H)(H)3	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[3x5]C[5]H)(H)3	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(CC[5]HH)	105.8103	2.367	3	107.6473	6.290	6	108.1021	5.202	8	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3x5]C[5]H)(H)3	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[3x5]C[5]H)(H)3	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4905	0.018	2	107.6473	6.290	6	108.1021	5.202	8	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3x5]C[5]H)(H)3	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[3x5]C[5]H)(H)3	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(CC[5]HH)	109.4720	0.000	1	107.6473	6.290	6	108.1021	5.202	8	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3x5]C[5]H)(H)3	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[3x5]C[5]H)(H)3	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CH3)(H){2|C<3>,2|C<4>,6|H<1>}	H(CC[5]HH)	109.4665	0.021	2	109.4665	0.000	2	108.1021	5.202	8	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[4,5]C[5]H)(H)3	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[4,5]C[5]H)(H)3	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CH3)(H){1|O<2>,2|C<4>,3|H<1>}	H(CC[5]HH)	111.5003	0.853	3	111.5003	0.728	3	110.4842	1.530	6	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[4,5]C[5]H)(H)3	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(CH3)(H)	H(CC[5]HH)	C(C[5]C[4,5]C[5]H)(H)3	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]CC)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4680	0.016	3	109.4680	0.000	3	110.4842	1.530	6	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,3x6]C[5]H)(H)3	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,3x6]C[5]H)(H)3	C[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(CC[5]HH)	110.9607	1.104	3	110.9607	1.218	3	109.8490	0.671	12	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,3x6]C[5]H)(H)3	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,3x6]C[5]H)(H)3	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(CC[5]HH)	109.4663	0.022	3	109.4785	0.001	6	109.8490	0.671	12	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,3x6]C[5]H)(H)3	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,3x6]C[5]H)(H)3	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H){1|O<1>,3|C<4>,5|H<1>}	H(CC[5]HH)	109.4907	0.028	3	109.4785	0.001	6	109.8490	0.671	12	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,3x6]C[5]H)(H)3	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,3x6]C[5]H)(H)3	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(C[5]C[5]HH)(CH3)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4783	0.019	3	109.4783	0.000	3	109.8490	0.671	12	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6,6]C[5]H)(H)3	C[5](C[5,5,6,6]C[5,6,6]C[5,6]O[5,6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6,6]C[5]H)(H)3	C[5](C[5,5,6,6]C[5,6,6]C[5,6]O[5,6])(C[5]C[5]HH)(CH3)(H){3|C<4>,5|H<1>}	H(CC[5]HH)	109.4940	0.023	2	109.4940	0.001	2	109.4940	0.001	2	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]Br2)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]Br2)(CH3)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[5]HH)	109.5687	0.107	3	109.5687	0.011	3	109.7759	4.033	81	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6]S[5])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6]S[5])(C[5]C[5]HH)(CH3)(H){2|O<1>,4|C<4>,4|H<1>}	H(CC[5]HH)	109.4597	0.037	3	109.4597	0.001	3	109.7759	4.033	81	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(CC[5]HH)	110.1449	1.147	9	109.7448	0.500	29	109.7759	4.033	81	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(CC[5]HH)	109.4838	0.024	4	109.7448	0.500	29	109.7759	4.033	81	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(CC[5]HH)	109.4673	0.035	13	109.7448	0.500	29	109.7759	4.033	81	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	H(CC[5]HH)	110.0950	0.442	3	109.7448	0.500	29	109.7759	4.033	81	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4963	0.020	3	109.3413	8.447	30	109.7759	4.033	81	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(CC[5]HH)	109.4770	0.096	3	109.3413	8.447	30	109.7759	4.033	81	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,6|H<1>}	H(CC[5]HH)	104.0977	6.216	3	109.3413	8.447	30	109.7759	4.033	81	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,7|H<1>}	H(CC[5]HH)	110.7010	2.111	9	109.3413	8.447	30	109.7759	4.033	81	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,7|H<1>}	H(CC[5]HH)	109.5597	1.711	12	109.3413	8.447	30	109.7759	4.033	81	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(CC[5]HH)	111.9020	0.480	3	110.6807	1.882	6	109.7759	4.033	81	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	H(CC[5]HH)	109.4593	0.015	3	110.6807	1.882	6	109.7759	4.033	81	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	H(CC[5]HH)	110.7844	1.915	10	110.7844	3.669	10	109.7759	4.033	81	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]2H)(H)3	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,5]C[5]O[5]2)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]2H)(H)3	C[5](C[5,5]C[5,5]C[5,6]O)(C[5,5]C[5]O[5]2)(CH3)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(CC[5]HH)	109.5130	0.039	3	109.5130	0.002	3	109.5289	0.002	8	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]2H)(H)3	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5,5]2H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]2H)(H)3	C[5](C[5,5]C[5]O[5]2)(C[5,5]C[5,5]2H)(CH3)(H){1|O<2>,3|H<1>,5|C<4>}	H(CC[5]HH)	109.5384	0.045	5	109.5384	0.002	5	109.5289	0.002	8	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5,6]H)(H)3	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]C[6]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]H)(H)3	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6,6]C[6]H)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(CC[5]HH)	109.4647	0.027	8	109.4647	0.001	8	109.4680	0.001	91	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5,6]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H){1|C<3>,3|H<1>,6|C<4>}	H(CC[5]HH)	109.4791	0.028	7	109.4749	0.001	9	109.4680	0.001	91	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5,6]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H){4|H<1>,6|C<4>}	H(CC[5]HH)	109.4600	0.040	2	109.4749	0.001	9	109.4680	0.001	91	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5,6]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,1|F<1>,1|H<1>,1|O<2>,5|C<4>}	H(CC[5]HH)	109.4705	0.035	2	109.4677	0.001	71	109.4680	0.001	91	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5,6]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,2|H<1>,6|C<4>}	H(CC[5]HH)	109.4887	0.029	3	109.4677	0.001	71	109.4680	0.001	91	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5,6]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	H(CC[5]HH)	109.4745	0.020	6	109.4677	0.001	71	109.4680	0.001	91	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5,6]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){1|H<1>,1|O<1>,6|C<4>}	H(CC[5]HH)	109.4453	0.059	6	109.4677	0.001	71	109.4680	0.001	91	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5,6]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]O[6])(CH3)(H){3|H<1>,6|C<4>}	H(CC[5]HH)	109.4682	0.033	54	109.4677	0.001	71	109.4680	0.001	91	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5,6]H)(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]N[5,6]C[6]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]H)(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]N[5,6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	H(CC[5]HH)	109.4627	0.030	3	109.4627	0.001	3	109.4680	0.001	91	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[3x5]N[5]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(CC[5]HH)	109.4750	0.000	1	109.4750	0.000	1	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4800	0.027	3	109.4800	0.001	3	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(CC[5]HH)	109.5103	0.103	3	109.5103	0.011	3	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4903	0.022	6	109.4900	0.001	17	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	H(CC[5]HH)	109.4954	0.049	8	109.4900	0.001	17	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]N[5,6]HH)(CH3)(H){3|H<1>,4|C<4>}	H(CC[5]HH)	109.4750	0.041	3	109.4900	0.001	17	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]B[5]H)(C[5]P[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]B[5]H)(C[5]P[5]HH)(CH3)(H){1|B<4>,1|H<1>,1|O<3>,4|C<3>}	H(CC[5]HH)	109.4583	0.034	6	109.4583	0.001	6	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O[5]H)(CH3)(H){1|O<2>,2|H<1>,5|C<4>}	H(CC[5]HH)	109.4680	0.028	3	109.4680	0.001	3	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)(CH3)(H){1|H<1>,4|C<4>}	H(CC[5]HH)	109.4693	0.023	3	109.4693	0.001	3	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CN)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CN)(CH3)(H){1|H<1>,4|C<4>}	H(CC[5]HH)	109.4725	0.015	2	109.4725	0.000	2	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5]HH)	109.4740	0.028	3	109.4688	0.001	5	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5]HH)	109.4610	0.042	2	109.4688	0.001	5	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]P[5]CW)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]P[5]CW)(CH3)(H){1|W<6>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4433	0.051	3	109.4433	0.003	3	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(H){1|C<4>,1|N<3>,5|H<1>}	H(CC[5]HH)	109.4605	0.035	2	109.4605	0.001	2	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(CC[5]HH)	109.4545	0.023	2	109.4580	0.001	8	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4530	0.058	3	109.4580	0.001	8	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4653	0.015	3	109.4580	0.001	8	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|N<3>,3|C<4>}	H(CC[5]HH)	109.4905	0.030	2	109.4905	0.001	2	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(CH3)(H){1|C<3>,1|N<2>,3|H<1>}	H(CC[5]HH)	109.5000	0.010	3	109.5000	0.000	3	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4955	0.018	2	109.4955	0.000	2	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(CC[5]HH)	109.4970	0.025	3	109.4910	0.001	6	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,5]S[5]H)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	H(CC[5]HH)	109.4850	0.045	3	109.4910	0.001	6	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(CC[5]HH)	109.4773	0.048	3	108.5200	11.456	6	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CH3)(H){4|C<4>,4|H<1>}	H(CC[5]HH)	107.5627	5.088	3	108.5200	11.456	6	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,1|O<2>,4|C<3>}	H(CC[5]HH)	109.4740	0.021	2	109.4740	0.000	2	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]HO)(CH3)(H){1|H<1>,4|C<3>}	H(CC[5]HH)	109.4760	0.057	2	109.4760	0.003	2	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4505	0.021	2	109.4505	0.000	2	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(CH3)(H){1|N<3>,2|C<3>,2|O<1>}	H(CC[5]HH)	109.4842	0.048	5	109.4842	0.002	5	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]SiH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]SiH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[5]HH)	109.4894	0.044	5	109.4894	0.002	5	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	H(CC[5]HH)	109.4954	0.048	5	109.4954	0.002	5	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(CC[5]HH)	109.4797	0.042	3	109.4797	0.002	3	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(CH3)(H){3|C<4>,3|H<1>}	H(CC[5]HH)	109.4890	0.068	3	109.4890	0.005	3	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CH3)(H){1|H<1>,5|C<4>}	H(CC[5]HH)	109.4620	0.021	3	109.4620	0.000	3	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HO)(CH3)(H){1|H<1>,5|C<4>}	H(CC[5]HH)	109.4820	0.055	3	109.4820	0.003	3	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5,5]CH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4300	0.023	3	109.4300	0.001	3	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4790	0.030	12	109.4790	0.001	12	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4703	0.040	3	109.4703	0.002	3	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5,5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5,5]HH)(CH3)(H){1|C<3>,1|C<4>,2|O<2>}	H(CC[5]HH)	109.4384	0.048	5	109.4384	0.002	5	109.4321	0.482	131	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6,6]C[5,5]H)(H)3	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6,6]C[5,5]H)(H)3	C[5](C[5,6,6]C[5,6,6]O[5,6]C[6])(C[5,5]C[5,5,6]C[5]H)(CH3)(H){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	H(CC[5]HH)	109.4760	0.029	4	109.4760	0.001	4	109.4760	0.001	4	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6,6]C[5]H)(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	H(CC[5]HH)	110.3885	1.465	6	110.3885	2.145	6	109.7341	0.716	21	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(H)3	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6,6]C[5]H)(H)3	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(CC[5]HH)	109.4788	0.027	6	109.4724	0.001	15	109.7341	0.716	21	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(H)3	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6,6]C[5]H)(H)3	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(CC[5]HH)	109.4667	0.012	3	109.4724	0.001	15	109.7341	0.716	21	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(H)3	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6,6]C[5]H)(H)3	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(CC[5]HH)	109.4560	0.012	3	109.4724	0.001	15	109.7341	0.716	21	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(H)3	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6,6]C[5]H)(H)3	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,7|H<1>}	H(CC[5]HH)	109.4817	0.027	3	109.4724	0.001	15	109.7341	0.716	21	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]2H)(H)3	C[5](C[5,6]C[5,6]C[6]Fe)2(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]2H)(H)3	C[5](C[5,6]C[5,6]C[6]Fe)2(CH3)(H){6|C<4>}	H(CC[5]HH)	109.4380	0.033	3	109.4380	0.001	3	109.4958	1.717	6	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]2H)(H)3	C[5](C[5,6]C[5,6]N[6]H)(C[5,6]C[6]2O[5])(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]2H)(H)3	C[5](C[5,6]C[5,6]N[6]H)(C[5,6]C[6]2O[5])(CH3)(H){2|C<4>,3|C<3>,3|H<1>}	H(CC[5]HH)	109.5537	2.069	3	109.5537	4.283	3	109.4958	1.717	6	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:F-1:	C-4:	C(C[5]C[5,6]C[5]F)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CH3)(F)	H(CC[5]HH)	C(C[5]C[5,6]C[5]F)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CH3)(F){3|C<4>,4|H<1>}	H(CC[5]HH)	109.5123	0.015	3	109.5123	0.000	3	109.5123	0.000	3	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	H(CC[5]HH)	109.4930	0.033	2	109.4930	0.001	2	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	H(CC[5]HH)	109.4787	0.030	11	109.4787	0.001	11	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,5,6]C[6]S)(C[5]N[5,5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,5,6]C[6]S)(C[5]N[5,5]HH)(CH3)(H){1|O<2>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4634	0.031	5	109.4634	0.001	5	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,5]C[6]2)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<3>,2|H<1>,3|O<2>}	H(CC[5]HH)	109.5100	0.041	6	109.5100	0.002	6	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4747	0.030	6	109.4784	0.001	9	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HO)(CH3)(H){3|C<4>,4|H<1>}	H(CC[5]HH)	109.4860	0.017	3	109.4784	0.001	9	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H){1|H<1>,1|O<1>,3|C<4>}	H(CC[5]HH)	109.4880	0.012	3	109.4905	0.001	8	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H){1|O<2>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.5025	0.028	2	109.4905	0.001	8	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	H(CC[5]HH)	109.4850	0.063	3	109.4905	0.001	8	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]N[5,6]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6,6]C[6]O)(C[5]N[5,6]HH)(CH3)(H){3|C<4>,3|H<1>}	H(CC[5]HH)	109.4800	0.016	3	109.4800	0.000	3	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6,6a]C[3x6]H)(C[5]C[5,6a]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6,6a]C[3x6]H)(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4610	0.022	3	109.4610	0.000	3	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4765	0.008	2	109.4765	0.000	2	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(CC[5]HH)	108.6027	3.087	3	108.6027	9.528	3	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4930	0.000	1	109.4930	0.000	1	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	H(CC[5]HH)	109.4850	0.040	6	109.4850	0.002	6	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5]HH)	109.2030	1.020	3	109.7033	1.889	33	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	H(CC[5]HH)	109.3393	0.300	6	109.7033	1.889	33	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	H(CC[5]HH)	109.4622	0.022	5	109.7033	1.889	33	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|N<2>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.4820	0.037	3	109.7033	1.889	33	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4475	0.053	2	109.7033	1.889	33	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|O<2>,3|H<1>}	H(CC[5]HH)	110.4387	1.435	3	109.7033	1.889	33	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(H){2|C<4>,3|H<1>}	H(CC[5]HH)	110.0541	2.207	11	109.7033	1.889	33	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]N[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]N[5]HH)(CH3)(H){1|H<1>,3|C<4>}	H(CC[5]HH)	109.4603	0.043	3	109.4603	0.002	3	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]O[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]O[5]HH)(CH3)(H){1|H<1>,2|C<4>}	H(CC[5]HH)	107.5342	3.933	6	107.5342	15.469	6	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4748	0.033	6	109.4748	0.001	6	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[5]H)(CH3)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>}	H(CC[5]HH)	109.4947	0.022	3	109.4947	0.000	3	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(CC[5]HH)	111.5940	0.866	3	111.1995	4.057	6	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]C[6a]H)(CH3)(H){1|O<1>,2|H<1>,4|C<3>}	H(CC[5]HH)	110.8050	2.988	3	111.1995	4.057	6	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5]HH)	109.4837	0.024	3	109.4837	0.001	3	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(CC[5]HH)	109.4617	0.033	6	109.4617	0.001	6	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(CC[5]HH)	110.3473	1.836	6	109.9312	2.171	46	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4535	0.029	4	109.9312	2.171	46	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,5|H<1>}	H(CC[5]HH)	109.4907	3.382	3	109.9312	2.171	46	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	H(CC[5]HH)	109.4779	0.048	18	109.9312	2.171	46	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4413	0.136	3	109.9312	2.171	46	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]HH)	111.2383	2.088	9	109.9312	2.171	46	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<4>,5|H<1>}	H(CC[5]HH)	109.4653	0.023	3	109.9312	2.171	46	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|O<2>,5|H<1>}	H(CC[5]HH)	109.5050	0.015	3	109.4888	0.001	6	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(H){2|C<4>,5|H<1>}	H(CC[5]HH)	109.4727	0.017	3	109.4888	0.001	6	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.5070	0.023	3	109.5092	0.000	6	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(CH3)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.5113	0.018	3	109.5092	0.000	6	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4740	0.013	2	109.4740	0.000	5	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(H){2|H<1>,3|C<4>}	H(CC[5]HH)	109.4740	0.020	3	109.4740	0.000	5	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CH3)(H){2|C<4>,5|H<1>}	H(CC[5]HH)	109.4697	0.033	3	109.4697	0.001	3	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4788	0.024	5	109.4832	0.000	8	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|O<2>,3|H<1>}	H(CC[5]HH)	109.4907	0.011	3	109.4832	0.000	8	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[6a]O[5]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[6a]O[5]H)(CH3)(H){1|H<1>,4|C<3>}	H(CC[5]HH)	109.4857	0.029	3	109.4857	0.001	3	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4685	0.018	2	109.4685	0.000	2	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	H(CC[5]HH)	109.4617	0.061	3	109.4617	0.004	3	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	H(CC[5]HH)	109.4640	0.018	2	109.4640	0.000	2	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(CC[5]HH)	110.1940	0.952	3	110.1940	0.905	3	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[6,6]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H){1|H<1>,4|C<3>}	H(CC[5]HH)	109.4833	0.028	3	109.4833	0.001	3	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]O[5]HO)(CH3)(H){1|O<2>,2|C<3>}	H(CC[5]HH)	109.4790	0.018	2	109.4790	0.000	2	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4623	0.020	3	109.4623	0.000	3	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]CH)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	H(CC[5]HH)	109.4717	0.027	3	109.4717	0.001	3	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H){1|H<1>,5|C<4>}	H(CC[5]HH)	109.4756	0.042	5	109.4733	0.001	8	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]C[6]O[5]O[6])(C[5]C[5]HH)(CH3)(H){3|C<4>,3|H<1>}	H(CC[5]HH)	109.4693	0.028	3	109.4733	0.001	8	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]CH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.5325	0.008	2	109.5325	0.000	2	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]CH)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4707	0.020	3	109.4707	0.000	3	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]C[6a]H)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.4753	0.026	3	109.4753	0.001	3	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]SiH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]SiH)(CH3)(H){2|H<1>,3|C<4>}	H(CC[5]HH)	109.4654	0.021	5	109.4654	0.000	5	109.5876	1.355	244	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-1:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(O)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5]HH)	109.4790	0.027	2	109.4790	0.001	2	109.4790	0.001	2	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:Si[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]Si[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]Si[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.4285	0.043	2	110.4112	1.178	5	110.4112	1.178	5	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:Si[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]Si[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5,6]Si[5]H)(H)3	C[5](C[5,6]C[5,6]C[6]H)(Si[5]O[5]CC)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	111.0663	0.863	3	110.4112	1.178	5	110.4112	1.178	5	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:F-1:	C-4:	C(C[5]C[5]2F)(H)3	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(CH3)(F)	H(CC[5]HH)	C(C[5]C[5]2F)(H)3	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(CH3)(F){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4910	0.014	3	109.4910	0.000	3	109.4702	0.001	5	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:F-1:	C-4:	C(C[5]C[5]2F)(H)3	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(F)	H(CC[5]HH)	C(C[5]C[5]2F)(H)3	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(F){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4390	0.016	2	109.4390	0.000	2	109.4702	0.001	5	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]B[5]HH)(C[5]C[5]HP)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]B[5]HH)(C[5]C[5]HP)(CH3)(H){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4640	0.007	2	109.4640	0.000	2	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[3,5,6]HO)(C[5]C[3,5]HN)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[3,5,6]HO)(C[5]C[3,5]HN)(CH3)(H){1|C<3>,2|C<4>}	H(CC[5]HH)	109.4590	0.030	3	109.4590	0.001	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	H(CC[5]HH)	110.0077	2.510	6	110.0077	6.302	6	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)(CH3)(H){2|C<4>,2|H<1>}	H(CC[5]HH)	109.4707	0.071	3	109.4707	0.005	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]CH)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>}	H(CC[5]HH)	109.4650	0.036	3	109.4650	0.001	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]CH)(C[5]O[5]CO)(CH3)(H){1|C<3>,1|O<2>}	H(CC[5]HH)	109.4761	0.033	11	109.4761	0.001	11	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CH3)(H){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4835	0.032	6	109.4835	0.001	6	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4738	0.058	6	109.4738	0.003	6	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)(H){1|C<3>,1|N<3>}	H(CC[5]HH)	109.4763	0.020	3	109.4763	0.000	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]HH)2(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]HH)2(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4745	0.062	2	109.4745	0.004	2	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]HN)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|H<1>}	H(CC[5]HH)	109.4610	0.066	2	109.4610	0.004	2	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4543	0.027	6	109.4543	0.001	6	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]HO)(C[5]N[5,5]CH)(CH3)(H){1|H<1>,2|C<4>}	H(CC[5]HH)	109.5003	0.030	3	109.5003	0.001	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(CH3)(H){1|C<3>,1|S<2>}	H(CC[5]HH)	108.8393	0.388	3	108.8393	0.151	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5a]CH)(C[5]N[5,5a]HH)(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4043	0.014	3	109.4043	0.000	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6,6]HH)2(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6,6]HH)2(CH3)(H){2|C<4>,2|H<1>}	H(CC[5]HH)	109.4663	0.565	3	109.4663	0.319	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	H(CC[5]HH)	109.4131	0.743	8	109.4252	0.430	10	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CH3)(H){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4735	0.008	2	109.4252	0.430	10	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]CH)(C[5]O[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]CH)(C[5]O[5]HH)(CH3)(H){1|C<4>,1|O<2>}	H(CC[5]HH)	109.4520	0.054	3	109.4520	0.003	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	H(CC[5]HH)	109.1662	1.085	36	109.1662	1.178	36	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4623	0.011	3	109.4623	0.000	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4732	0.035	5	109.4732	0.001	5	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H){1|H<1>,3|C<4>}	H(CC[5]HH)	109.4880	0.024	2	109.4728	0.000	5	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)(H){2|C<4>,2|H<1>}	H(CC[5]HH)	109.4627	0.018	3	109.4728	0.000	5	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HH)2(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HH)2(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[5]HH)	109.4870	0.023	3	109.4870	0.001	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HO)2(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HO)2(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4608	0.060	4	109.4608	0.004	4	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HS)(C[5]N[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]HS)(C[5]N[5]HH)(CH3)(H){1|C<3>,2|C<4>}	H(CC[5]HH)	109.4870	0.009	3	109.4870	0.000	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]OsC)(C[5]C[5,6]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6]OsC)(C[5]C[5,6]CH)(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4637	0.034	3	109.4637	0.001	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)(CH3)(H){2|C<3>}	H(CC[5]HH)	104.0920	11.606	3	104.0920	134.693	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	H(CC[5]HH)	110.6923	1.575	3	110.6923	2.479	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4584	0.073	17	109.4584	0.005	17	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4740	0.019	6	109.4740	0.000	6	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4710	0.034	3	109.4710	0.001	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)(H){2|C<3>}	H(CC[5]HH)	110.2273	0.839	3	110.2273	0.703	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5]HH)	109.4753	0.038	6	109.4753	0.001	6	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]BH)(C[5]P[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]BH)(C[5]P[5]HH)(CH3)(H){1|B<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4553	0.051	6	109.4553	0.003	6	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CO)(CH3)(H){4|H<1>}	H(CC[5]HH)	109.4806	0.037	11	109.4806	0.001	11	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(H){1|N<2>,3|H<1>}	H(CC[5]HH)	109.4610	0.029	3	109.4710	0.001	5	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(H){1|N<3>,3|H<1>}	H(CC[5]HH)	109.4860	0.004	2	109.4710	0.001	5	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CH3)(H){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4690	0.025	3	109.4690	0.001	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<2>,1|S<4>,2|H<1>}	H(CC[5]HH)	109.4523	0.041	3	109.5941	0.501	60	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4620	0.033	3	109.5941	0.501	60	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|H<1>}	H(CC[5]HH)	109.4711	0.038	9	109.5941	0.501	60	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<3>,3|H<1>}	H(CC[5]HH)	109.4950	0.025	2	109.5941	0.501	60	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<1>,1|O<2>}	H(CC[5]HH)	109.4650	0.025	6	109.5941	0.501	60	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.8458	1.206	20	109.5941	0.501	60	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4633	0.077	3	109.5941	0.501	60	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|H<1>}	H(CC[5]HH)	109.4592	0.026	6	109.5941	0.501	60	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){1|O<2>,3|H<1>}	H(CC[5]HH)	109.4692	0.026	5	109.5941	0.501	60	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|H<1>}	H(CC[5]HH)	109.4930	0.043	3	109.5941	0.501	60	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|C<3>,2|H<1>}	H(CC[5]HH)	109.4650	0.023	2	109.4779	0.001	9	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4780	0.007	2	109.4779	0.001	9	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CH3)(H){1|O<2>,3|H<1>}	H(CC[5]HH)	109.4830	0.031	5	109.4779	0.001	9	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H){1|O<1>}	H(CC[5]HH)	109.4827	0.020	4	109.4793	0.000	7	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4747	0.015	3	109.4793	0.000	7	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]HO)(CH3)(H){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4620	0.020	7	109.4620	0.000	7	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H){1|C<3>,3|H<1>}	H(CC[5]HH)	109.4650	0.036	5	109.4668	0.001	18	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4676	0.025	10	109.4668	0.001	18	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(H){2|C<4>,2|H<1>}	H(CC[5]HH)	109.4673	0.027	3	109.4668	0.001	18	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)(H){1|C<3>,2|C<4>}	H(CC[5]HH)	108.9397	0.802	3	108.9397	0.643	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(H){1|O<1>}	H(CC[5]HH)	109.4950	0.034	3	109.4950	0.001	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C[6]H)(C[5]C[5]CO)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4425	0.011	2	109.4425	0.000	2	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[5]HH)	109.4922	0.035	4	109.4922	0.001	4	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C[6]H)(C[5]O[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C[6]H)(C[5]O[5]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4675	0.012	2	109.4675	0.000	2	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H){1|C<3>,3|H<1>}	H(CC[5]HH)	109.4691	0.155	9	109.4651	0.018	12	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)(H){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4530	0.015	3	109.4651	0.018	12	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4772	0.035	58	109.4766	0.001	80	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4800	0.019	4	109.4766	0.001	80	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4845	0.041	12	109.4766	0.001	80	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(H){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4537	0.031	6	109.4766	0.001	80	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)(H){1|C<4>,1|O<1>}	H(CC[5]HH)	109.5230	0.055	3	109.5230	0.003	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	H(CC[5]HH)	109.4550	0.025	8	109.4622	0.001	11	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)(H){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4813	0.046	3	109.4622	0.001	11	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3)(H){2|C<4>}	H(CC[5]HH)	109.4730	0.019	3	109.4730	0.000	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|C<4>,1|H<1>}	H(CC[5]HH)	111.8573	0.954	3	109.9891	1.166	14	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|H<1>,1|S<4>}	H(CC[5]HH)	109.4740	0.035	3	109.9891	1.166	14	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){1|O<1>}	H(CC[5]HH)	109.4762	0.040	6	109.9891	1.166	14	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(H){2|C<4>}	H(CC[5]HH)	109.4985	0.013	2	109.9891	1.166	14	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CO)(CH3)(H){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4711	0.037	18	109.4711	0.001	18	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(H){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4674	0.035	5	109.4674	0.001	5	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)2(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)2(CH3)(H){1|C<4>,3|H<1>}	H(CC[5]HH)	111.7687	1.542	3	109.9606	1.085	21	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)2(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)2(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4530	0.037	3	109.9606	1.085	21	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)2(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HH)2(CH3)(H){4|H<1>}	H(CC[5]HH)	109.7005	0.618	15	109.9606	1.085	21	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HN)(C[5]O[5]CH)(CH3)(H){1|O<1>}	H(CC[5]HH)	109.7172	0.976	6	109.7172	0.953	6	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	110.3970	1.025	5	109.7719	0.510	15	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<3>,3|H<1>}	H(CC[5]HH)	109.4590	0.015	3	109.7719	0.510	15	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|C<4>,1|H<1>,1|S<4>}	H(CC[5]HH)	109.4300	0.000	1	109.7719	0.510	15	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(H){1|H<1>,2|C<3>}	H(CC[5]HH)	109.4643	0.019	6	109.7719	0.510	15	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>}	H(CC[5]HH)	109.4780	0.033	5	109.4863	0.001	7	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)(H){1|H<1>,2|C<4>}	H(CC[5]HH)	109.5070	0.004	2	109.4863	0.001	7	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4627	0.019	4	109.4715	0.000	8	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(H){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4802	0.019	4	109.4715	0.000	8	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HP)(C[5]O[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HP)(C[5]O[5]CH)(CH3)(H){1|C<3>,1|O<2>}	H(CC[5]HH)	109.4725	0.028	2	109.4725	0.001	2	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CH3)(H){1|C<4>,1|O<1>}	H(CC[5]HH)	108.9897	0.183	3	108.9897	0.034	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]HS)(C[5]N[5]HH)(CH3)(H){1|C<4>,1|O<1>}	H(CC[5]HH)	109.4720	0.037	2	109.4720	0.001	2	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]2H)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]2H)(CH3)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4830	0.024	3	109.4830	0.001	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]HH)	109.4785	0.032	2	109.4785	0.001	2	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	H(CC[5]HH)	109.4793	0.021	3	109.4793	0.000	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]OsC)(C[5]P[5]OsH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]OsC)(C[5]P[5]OsH)(CH3)(H){1|Os<4>,1|C<3>,1|H<1>}	H(CC[5]HH)	109.4670	0.020	2	109.4670	0.000	2	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(CC[5]HH)	109.8189	1.004	9	109.8189	1.008	9	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H){1|O<1>,4|C<3>}	H(CC[5]HH)	109.4960	0.019	3	109.4828	0.002	5	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]2O[5])(C[5]C[5]CH)(CH3)(H){2|H<1>,4|C<3>}	H(CC[5]HH)	109.4630	0.066	2	109.4828	0.002	5	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]B[5]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]B[5]H)(C[5]C[5]HH)(CH3)(H){1|B<3>,1|H<1>,3|C<3>}	H(CC[5]HH)	109.4827	0.039	3	109.4827	0.002	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	H(CC[5]HH)	109.4960	0.051	3	109.4960	0.003	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)(H){1|O<2>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4620	0.032	6	109.4620	0.001	6	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3)(H){1|O<1>,2|C<3>}	H(CC[5]HH)	109.4783	0.020	3	109.4783	0.000	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	H(CC[5]HH)	109.4756	0.027	14	109.4756	0.001	14	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(CH3)(H){1|O<1>,2|C<3>}	H(CC[5]HH)	109.4543	0.021	3	109.4543	0.000	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	H(CC[5]HH)	109.4706	0.033	7	109.5506	2.643	39	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|H<1>,3|C<3>}	H(CC[5]HH)	109.6508	2.426	18	109.5506	2.643	39	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(H){1|O<1>,2|C<3>}	H(CC[5]HH)	109.4617	0.031	14	109.5506	2.643	39	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4720	0.023	3	109.4684	0.000	5	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HO)(CH3)(H){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4630	0.017	2	109.4684	0.000	5	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)(H){2|C<3>,2|C<4>}	H(CC[5]HH)	110.6323	2.195	3	110.6323	4.817	3	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]Se[5]H)(C[5]P[5]HN)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]Se[5]H)(C[5]P[5]HN)(CH3)(H){1|Se<1>,3|C<3>}	H(CC[5]HH)	109.4790	0.006	2	109.4790	0.000	2	109.4990	1.053	636	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]HH)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4707	0.028	3	109.4707	0.001	3	109.5830	0.479	22	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H){1|C<3>,3|H<1>}	H(CC[5]HH)	109.4560	0.034	3	109.7412	1.208	9	109.5830	0.479	22	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CH3)(H){4|H<1>}	H(CC[5]HH)	109.8838	1.363	6	109.7412	1.208	9	109.5830	0.479	22	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]HS)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[5]HH)(N[5]C[5]HS)(CH3)(H){1|C<3>,3|H<1>}	H(CC[5]HH)	109.4433	0.020	3	109.4433	0.000	3	109.5830	0.479	22	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]C[5]PdC)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]C[5]PdC)(CH3)(H){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4830	0.019	4	109.4830	0.000	4	109.5830	0.479	22	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]Si[5,5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]C[6a]O[5]H)(N[5]Si[5,5]CH)(CH3)(H){1|N<3>,1|O<2>,3|C<3>}	H(CC[5]HH)	109.4937	0.050	3	109.4937	0.003	3	109.5830	0.479	22	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:P[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CH3)(H){1|Si<4>,2|C<3>}	H(CC[5]HH)	109.5003	0.057	3	109.5003	0.003	3	109.5364	0.066	42	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:P[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](C[5]C[5]HH)(P[5]C[5]BC)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](C[5]C[5]HH)(P[5]C[5]BC)(CH3)(H){4|H<1>}	H(CC[5]HH)	110.4000	0.251	3	110.4000	0.063	3	109.5364	0.066	42	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:P[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](C[5]C[5]HH)(P[5]C[5]CW)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](C[5]C[5]HH)(P[5]C[5]CW)(CH3)(H){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4675	0.064	36	109.4675	0.004	36	109.5364	0.066	42	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(H)3	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]O[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,5]C[5]H)(H)3	C[5](N[5,5]B[5,5,6]C[5]B)(C[5]O[5]HH)(CH3)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4863	0.032	3	109.4863	0.001	3	110.4175	2.856	6	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(H)3	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,5]C[5]H)(H)3	C[5](N[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(CH3)(H){2|C<4>,5|H<1>}	H(CC[5]HH)	111.3487	2.130	3	111.3487	4.539	3	110.4175	2.856	6	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,6]B[5,5,6]B[6]C)(C[5]N[5,5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,6]B[5,5,6]B[6]C)(C[5]N[5,5]HH)(CH3)(H){1|B<4>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(CC[5]HH)	109.4990	0.035	3	109.4990	0.001	3	109.4690	0.002	6	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(H){2|C<4>,5|H<1>}	H(CC[5]HH)	109.4390	0.048	3	109.4390	0.002	3	109.4690	0.002	6	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5,6a]C[6a]B)(C[5]C[5,6a]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5,6a]C[6a]B)(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	H(CC[5]HH)	109.4800	0.032	3	109.4800	0.001	3	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]2Pd)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]2Pd)(C[5]C[5]HH)(CH3)(H){1|Fe<10>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4534	0.033	8	109.4534	0.001	8	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CH3)(H){1|Fe<10>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4815	0.036	21	109.4708	0.001	29	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	H(CC[5]HH)	109.4426	0.028	8	109.4708	0.001	29	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]2Se)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]2Se)(C[5]C[5]HH)(CH3)(H){1|Fe<10>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4746	0.026	7	109.4746	0.001	7	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]C[6]Pd)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]C[6]Pd)(C[5]C[5]HH)(CH3)(H){3|C<4>,4|H<1>}	H(CC[5]HH)	109.4657	0.059	8	109.4657	0.003	8	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]C[6]Pt)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]C[6]Pt)(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.5090	0.083	5	109.4899	0.006	9	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]C[6]Pt)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]C[6]Pt)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4660	0.076	4	109.4899	0.006	9	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]NiC)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]NiC)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4709	0.065	14	109.4709	0.004	14	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]PdC)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]PdC)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4835	0.057	26	109.4835	0.003	26	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4726	0.081	81	109.4726	0.007	81	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5]RuC)(C[5]C[5]HH)(CH3)(H){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4667	0.039	63	109.4667	0.002	63	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5a]C[5]O)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[5a]C[5]O)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(CC[5]HH)	109.4568	0.036	6	109.4568	0.001	6	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H){1|N<2>,6|C<3>}	H(CC[5]HH)	109.4517	0.063	3	109.4660	0.003	9	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H){1|O<1>,6|C<3>}	H(CC[5]HH)	109.4867	0.067	3	109.4660	0.003	9	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H){1|O<2>,6|C<3>}	H(CC[5]HH)	109.4597	0.046	3	109.4660	0.003	9	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]Co)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]Co)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4793	0.051	8	109.4793	0.003	8	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]Fe)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]Fe)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4632	0.025	12	109.4632	0.001	12	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]Ir)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]Ir)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4581	0.039	15	109.4581	0.001	15	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]Ni)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]Ni)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4623	0.051	10	109.4623	0.003	10	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4705	0.026	6	109.4736	0.001	10	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4783	0.032	4	109.4736	0.001	10	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4636	0.053	45	109.4636	0.003	45	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4730	0.134	147	109.4730	0.018	147	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4825	0.072	38	109.4825	0.005	38	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]Ru)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]Ru)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4673	0.046	97	109.4673	0.002	97	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4919	0.024	8	109.4856	0.001	12	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	H(CC[5]HH)	109.4730	0.039	4	109.4856	0.001	12	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]W)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]P[5]H)(H)3	C[5](P[5]C[6a]C[5]W)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4820	0.152	24	109.4820	0.023	24	109.4714	0.007	681	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:1:	4:	C[5]-4:H-1:H-1:O-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(H)2(O)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(H)2(O)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H){1|C<3>,3|H<1>}	H(CC[5]HO)	109.0745	0.564	2	109.0745	0.318	2	109.0745	0.318	2	109.5126	0.752	2113	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(Cl)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CClHH)(OH)	H(CC[5]ClH)	C(C[5]C[5]2O)(Cl)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CClHH)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5]ClH)	111.9225	1.729	2	111.9225	2.989	2	111.9225	2.989	2	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[3,5,6]C[5]O)(H)3	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[3,5,6]C[5]O)(H)3	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CH3)(OH){2|C<4>,4|H<1>}	H(CC[5]HH)	109.4733	0.030	3	109.4733	0.001	3	109.4733	0.001	3	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[3,5]C[5]O)(H)3	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[3,5]C[5]O)(H)3	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(CH3)(OH){2|C<4>,3|H<1>}	H(CC[5]HH)	109.9218	1.465	12	109.9218	2.147	12	109.9716	1.613	34	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[3,5]C[5]O)(H)3	C[5](C[3,5]C[3,5]C[3]O[3])(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[3,5]C[5]O)(H)3	C[5](C[3,5]C[3,5]C[3]O[3])(C[5]C[5]HH)(CH3)(OH){1|O<2>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4504	0.108	5	109.4504	0.012	5	109.9716	1.613	34	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[3,5]C[5]O)(H)3	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[3,5]C[5]O)(H)3	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]HH)(CH3)(OH){1|C<4>,2|H<1>}	H(CC[5]HH)	109.5017	0.025	3	109.5017	0.001	3	109.9716	1.613	34	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[3,5]C[5]O)(H)3	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[3,5]C[5]O)(H)3	C[5](C[3,5]C[3]2C[5])(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|O<1>,4|H<1>}	H(CC[5]HH)	109.4590	0.018	2	109.4590	0.000	2	109.9716	1.613	34	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[3,5]C[5]O)(H)3	C[5](C[3,5]C[5,5]C[3]O[3])(C[5]C[5,5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[3,5]C[5]O)(H)3	C[5](C[3,5]C[5,5]C[3]O[3])(C[5]C[5,5]HH)(CH3)(OH){1|O<2>,2|C<4>,3|H<1>}	H(CC[5]HH)	110.4413	1.488	12	110.4413	2.214	12	109.9716	1.613	34	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[3x5,6]C[5]O)(H)3	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[3x5,6]C[5]O)(H)3	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(OH){1|O<2>,4|C<4>,5|H<1>}	H(CC[5]HH)	109.4308	0.045	6	109.4308	0.002	6	109.4308	0.002	6	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[4,5]C[5]O)(H)3	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[4,5]C[5]O)(H)3	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]HH)(CH3)(OH){1|C<4>,2|O<2>,3|H<1>}	H(CC[5]HH)	109.4630	0.019	3	109.4630	0.000	3	109.3055	1.911	6	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[4,5]C[5]O)(H)3	C[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]HO)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[4,5]C[5]O)(H)3	C[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]HO)(CH3)(OH){2|C<4>,4|H<1>}	H(CC[5]HH)	109.1480	2.169	3	109.1480	4.702	3	109.3055	1.911	6	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5,6]C[5]O)(H)3	C[5](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]O)(H)3	C[5](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5]C[5]HH)(CH3)(OH){2|H<1>,2|O<2>,3|C<4>}	H(CC[5]HH)	109.4730	0.020	3	109.4730	0.000	3	109.4692	0.000	14	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5,6]C[5]O)(H)3	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]O)(H)3	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH){1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4600	0.014	4	109.4667	0.001	8	109.4692	0.000	14	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5,6]C[5]O)(H)3	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]O)(H)3	C[5](C[5,5,6]C[3x5]O[5,6]C[6])(C[5]C[5,5]HH)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.4735	0.033	4	109.4667	0.001	8	109.4692	0.000	14	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5,6]C[5]O)(H)3	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,5,6]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]O)(H)3	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5,5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4720	0.021	3	109.4720	0.000	3	109.4692	0.000	14	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5,6]O)(H)3	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]O)(H)3	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OC){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	H(CC[5]HH)	109.4887	0.026	3	109.4887	0.001	3	109.4766	0.001	5	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5,6]O)(H)3	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]O)(H)3	C[5](C[5,5]C[3,5]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)(OH){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	H(CC[5]HH)	109.4585	0.011	2	109.4585	0.000	2	109.4766	0.001	5	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(CH3)(OSi)	H(CC[5]HH)	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HH)(CH3)(OSi){1|H<1>,1|N<2>,3|C<4>}	H(CC[5]HH)	109.4920	0.016	3	109.4920	0.000	3	109.4634	0.001	42	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)(OH){3|H<1>,4|C<4>}	H(CC[5]HH)	109.4720	0.055	5	109.4720	0.003	5	109.4634	0.001	42	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(CH3)(OH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(CC[5]HH)	109.4625	0.021	2	109.4625	0.000	2	109.4634	0.001	42	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]O)(CH3)(OC){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(CC[5]HH)	109.4590	0.017	2	109.4590	0.000	2	109.4634	0.001	42	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CH3)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4807	0.014	3	109.4807	0.000	3	109.4634	0.001	42	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)(OH){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(CC[5]HH)	109.4803	0.032	3	109.4803	0.001	3	109.4634	0.001	42	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(CH3)(OH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(CC[5]HH)	109.4663	0.033	3	109.4602	0.001	5	109.4634	0.001	42	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CO)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|N<3>,4|H<1>}	H(CC[5]HH)	109.4510	0.018	2	109.4602	0.001	5	109.4634	0.001	42	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)(OH){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(CC[5]HH)	109.4491	0.038	14	109.4491	0.001	14	109.4634	0.001	42	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5]3)(C[5]C[5]HO)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5]3)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|O<1>,1|O<2>,6|H<1>}	H(CC[5]HH)	109.4410	0.011	2	109.4410	0.000	2	109.4634	0.001	42	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OH){2|C<3>,5|H<1>}	H(CC[5]HH)	109.4763	0.027	3	109.4763	0.001	3	109.4634	0.001	42	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-2:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(CC)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(CC){2|C<4>,5|H<1>}	H(CC[5]HH)	109.5097	0.017	3	109.5097	0.000	3	109.5097	0.000	3	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,5]HH)(CH3)(OH){2|C<4>,2|H<1>,3|O<2>}	H(CC[5]HH)	110.2223	1.717	6	110.2223	2.949	6	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4690	0.000	1	109.4743	0.000	7	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CH3)(OH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4752	0.015	6	109.4743	0.000	7	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|C<4>,2|C<3>,3|O<2>}	H(CC[5]HH)	109.4770	0.043	3	109.4770	0.002	3	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5]HH)	109.4580	0.054	3	109.4580	0.003	3	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3)(OH){1|O<2>,2|C<4>,3|C<3>}	H(CC[5]HH)	109.4700	0.030	7	109.4700	0.001	7	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5]HH)	109.4623	0.012	3	109.4623	0.000	3	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4357	0.035	3	109.4357	0.001	3	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CH3)(OH){2|C<4>,5|H<1>}	H(CC[5]HH)	109.7457	1.259	110	109.7457	1.584	110	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]O[5]H)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[3]O[5]H)(CH3)(OH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.4553	0.024	3	109.4553	0.001	3	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4477	0.023	3	109.4532	0.001	5	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	H(CC[5]HH)	109.4615	0.029	2	109.4532	0.001	5	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4747	0.012	3	109.4737	0.001	27	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4747	0.035	16	109.4737	0.001	27	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	H(CC[5]HH)	109.4714	0.040	8	109.4737	0.001	27	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OC){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4740	0.043	8	109.4740	0.002	8	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HO)(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4987	0.021	3	109.4987	0.000	3	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5]HH)	109.4660	0.006	2	109.4762	0.003	16	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)(OH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4777	0.057	14	109.4762	0.003	16	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CH3)(OH){1|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.5070	0.030	3	109.5070	0.001	3	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	H(CC[5]HH)	109.4903	0.032	3	109.4903	0.001	3	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4848	0.016	5	109.4673	0.002	14	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(CH3)(OH){3|C<4>,4|H<1>}	H(CC[5]HH)	109.4576	0.051	9	109.4673	0.002	14	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CH3)(OH){2|C<4>,5|H<1>}	H(CC[5]HH)	109.4523	0.025	3	109.4523	0.001	3	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CH3)(OH){1|C<3>,2|C<4>,5|H<1>}	H(CC[5]HH)	109.4665	0.005	2	109.4665	0.000	2	109.6228	0.851	229	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[3,5]C[5]H)(C[5]C[5]HH)(CH3)(OH){2|C<4>,2|O<2>,3|H<1>}	H(CC[5]HH)	109.4820	0.007	2	109.4820	0.000	2	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[3]C[5]H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.5149	0.070	7	109.5149	0.005	7	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	110.0392	2.498	12	110.0392	6.240	12	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CH3)(OH){1|H<1>,3|C<3>}	H(CC[5]HH)	109.4687	0.013	3	109.4687	0.000	3	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,5]HH)2(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,5]HH)2(CH3)(OH){2|C<4>,2|H<1>}	H(CC[5]HH)	109.4805	0.030	11	109.4805	0.001	11	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,5]HO)(C[5]O[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,5]HO)(C[5]O[5]HH)(CH3)(OH){1|C<4>,1|O<2>}	H(CC[5]HH)	109.4565	0.032	2	109.4565	0.001	2	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,6]HO)(C[5]O[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,6]HO)(C[5]O[5]HH)(CH3)(OH){1|C<4>,1|O<2>}	H(CC[5]HH)	109.4917	0.054	3	109.4917	0.003	3	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]HH)(CH3)(OH){4|C<3>}	H(CC[5]HH)	109.4957	0.015	3	109.4957	0.000	3	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4640	0.014	2	109.4813	0.001	15	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[5]HH)	109.4866	0.026	10	109.4813	0.001	15	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5]HH)	109.4753	0.018	3	109.4813	0.001	15	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]BrH)(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|H<1>,1|S<4>}	H(CC[5]HH)	109.4883	0.027	3	109.4883	0.001	3	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4730	0.042	2	109.4730	0.002	2	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC){1|C<2>,1|C<3>,2|H<1>}	H(CC[5]HH)	109.4442	0.016	5	109.4586	0.001	8	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OC){1|C<2>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.4827	0.012	3	109.4586	0.001	8	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<3>,1|H<1>,1|O<1>}	H(CC[5]HH)	109.4637	0.049	3	109.4681	0.001	43	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<3>,3|H<1>}	H(CC[5]HH)	109.4560	0.054	8	109.4681	0.001	43	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4880	0.029	3	109.4681	0.001	43	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4740	0.010	3	109.4681	0.001	43	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4610	0.031	17	109.4681	0.001	43	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){2|C<3>,2|H<1>}	H(CC[5]HH)	109.5030	0.011	2	109.4681	0.001	43	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(OH){4|H<1>}	H(CC[5]HH)	109.4803	0.019	7	109.4681	0.001	43	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CH3)(OH){1|C<3>,2|H<1>}	H(CC[5]HH)	111.6787	4.891	3	110.5732	11.034	6	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CH3)(OH){1|H<1>,1|O<1>}	H(CC[5]HH)	109.4677	0.021	3	110.5732	11.034	6	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4740	0.014	3	109.8654	0.400	9	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH){1|S<4>,2|H<1>}	H(CC[5]HH)	110.6457	0.480	3	109.8654	0.400	9	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)(OH){4|H<1>}	H(CC[5]HH)	109.4767	0.042	3	109.8654	0.400	9	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(OH){1|C<4>,3|H<1>}	H(CC[5]HH)	109.5045	0.039	2	109.5045	0.002	2	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CH3)(OH){1|O<1>}	H(CC[5]HH)	108.6440	1.154	3	108.6440	1.332	3	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4702	0.068	6	109.4690	0.003	9	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OC){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4667	0.036	3	109.4690	0.003	9	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4622	0.038	6	109.4622	0.001	6	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CH3)(OC){1|C<3>,1|H<1>,1|S<4>}	H(CC[5]HH)	109.4617	0.032	3	109.4617	0.001	3	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CC)(CH3)(OH){1|H<1>,1|O<1>}	H(CC[5]HH)	109.4787	0.012	3	109.4787	0.000	3	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(OC)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CH3)(OC){1|C<4>,1|H<1>}	H(CC[5]HH)	109.5128	0.031	5	109.5128	0.001	5	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(OO)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(OO){1|C<4>,1|O<2>}	H(CC[5]HH)	109.4645	0.005	2	109.4645	0.000	2	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]CH)(CH3)(OH){1|C<3>,2|H<1>}	H(CC[5]HH)	109.4845	0.012	2	109.4845	0.000	2	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH){1|O<1>}	H(CC[5]HH)	110.1913	2.063	6	110.0108	3.153	8	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CH3)(OH){2|C<4>}	H(CC[5]HH)	109.4690	0.027	2	110.0108	3.153	8	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]HH)	110.4140	1.264	3	109.0135	1.836	12	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|O<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	108.5467	1.070	9	109.0135	1.836	12	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]N[5a]Se[5]H)(C[5]C[5]HO)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]N[5a]Se[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4787	0.011	4	109.4787	0.000	4	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4717	0.023	7	109.4717	0.001	7	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(H)3	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]2O)(H)3	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HH)	109.4900	0.017	3	109.4900	0.000	3	109.5425	0.967	198	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:2:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:P[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]P[5]O)(H)3	C[5](C[5]C[5,6]HH)(P[5]C[5,6]OO)(CH3)(OH)	H(CC[5]HH)	C(C[5]C[5]P[5]O)(H)3	C[5](C[5]C[5,6]HH)(P[5]C[5,6]OO)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4600	0.000	1	109.4600	0.000	1	109.4600	0.000	1	109.5988	0.864	543	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CH3)(CHO)	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CH3)(CHO){2|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4463	0.023	3	109.4463	0.001	3	109.4463	0.001	3	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(CH3)(COO){3|H<1>,4|C<4>}	H(CC[5]HH)	109.4691	0.018	7	109.4691	0.000	7	109.5440	0.403	24	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(CH3)(CHO)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(CH3)(CHO){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4675	0.008	2	109.4675	0.000	2	109.5440	0.403	24	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CH3)(CCH){2|C<3>,2|O<1>}	H(CC[5]HH)	109.4573	0.018	3	109.4698	0.001	5	109.5440	0.403	24	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CH3)(CCH){2|C<4>,2|O<1>}	H(CC[5]HH)	109.4885	0.015	2	109.4698	0.001	5	109.5440	0.403	24	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HH)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]N[5,5]C[5]2)(C[5]C[5,5]HH)(CH3)(COO){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	H(CC[5]HH)	109.4597	0.027	3	109.4597	0.001	3	109.5440	0.403	24	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CH3)(CCO)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CH3)(CCO){3|C<4>,4|H<1>}	H(CC[5]HH)	110.0917	2.028	3	110.0917	4.112	3	109.5440	0.403	24	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(CH3)(COO){1|C<3>,1|O<2>,4|H<1>}	H(CC[5]HH)	109.4635	0.006	2	109.4635	0.000	2	109.5440	0.403	24	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]HH)(CH3)(COO){1|C<3>,1|H<1>,3|C<4>}	H(CC[5]HH)	109.4540	0.040	2	109.4540	0.002	2	109.5440	0.403	24	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C-4:	C(C[5]C[5,5]C[5]N)(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CH3)(NOO)	H(CC[5]HH)	C(C[5]C[5,5]C[5]N)(H)3	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CH3)(NOO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(CC[5]HH)	109.4730	0.011	4	109.4730	0.000	4	109.4754	0.001	13	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C-4:	C(C[5]C[5,5]C[5]N)(H)3	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CH3)(NOO)	H(CC[5]HH)	C(C[5]C[5,5]C[5]N)(H)3	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CH3)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(CC[5]HH)	109.4820	0.031	2	109.4820	0.001	2	109.4754	0.001	13	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C-4:	C(C[5]C[5,5]C[5]N)(H)3	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CH3)(NCO)	H(CC[5]HH)	C(C[5]C[5,5]C[5]N)(H)3	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CH3)(NCO){2|H<1>,3|C<3>}	H(CC[5]HH)	109.4640	0.020	3	109.4640	0.000	3	109.4754	0.001	13	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C-4:	C(C[5]C[5,5]C[5]N)(H)3	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CH3)(NHO)	H(CC[5]HH)	C(C[5]C[5,5]C[5]N)(H)3	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CH3)(NHO){2|H<1>,3|C<3>}	H(CC[5]HH)	109.4830	0.037	4	109.4830	0.001	4	109.4754	0.001	13	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-3:	C-4:	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OHH)	H(CC[5]HH)	C(C[5]C[5,5]C[5]O)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OHH){2|C<4>,5|H<1>}	H(CC[5]HH)	109.4437	0.048	4	109.4437	0.002	4	109.4437	0.002	4	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5]C)(H)3	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]HH)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5,5]N[5]C)(H)3	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]HH)(CH3)(COO){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	H(CC[5]HH)	109.4610	0.027	3	109.4610	0.001	3	109.4610	0.001	3	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-3:	C-4:	C(C[5]C[5,6]2C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CH3)(CHO)	H(CC[5]HH)	C(C[5]C[5,6]2C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]O[6]2)(CH3)(CHO){1|C<3>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4795	0.028	2	109.4795	0.001	2	109.4795	0.001	2	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[3,6]C[5,6]O)(C[5]O[5]HH)(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[3,6]C[5,6]O)(C[5]O[5]HH)(CH3)(CCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4547	0.020	3	109.4547	0.000	3	109.4529	0.001	12	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]CH)(CH3)(CCO)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]CH)(CH3)(CCO){2|C<4>,4|H<1>}	H(CC[5]HH)	109.4380	0.042	3	109.4380	0.002	3	109.4529	0.001	12	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)(CH3)(CCH){1|C<3>,1|C<4>,4|H<1>}	H(CC[5]HH)	109.4437	0.010	3	109.4437	0.000	3	109.4529	0.001	12	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(CCO)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)(CCO){2|C<3>,3|H<1>}	H(CC[5]HH)	109.4753	0.053	3	109.4753	0.003	3	109.4529	0.001	12	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:N-3:	C-4:	C(C[5]C[5,6]C[5]N)(H)3	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CH3)(NOO)	H(CC[5]HH)	C(C[5]C[5,6]C[5]N)(H)3	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CH3)(NOO){1|S<4>,5|C<3>}	H(CC[5]HH)	109.4723	0.066	4	109.4723	0.004	4	109.4723	0.004	4	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(CH3)(COO){1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.4653	0.025	3	109.4653	0.001	3	109.5924	0.462	74	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)2(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)2(CH3)(COO){2|C<4>,2|H<1>}	H(CC[5]HH)	109.4638	0.019	4	109.4638	0.000	4	109.5924	0.462	74	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CH3)(CHO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CH3)(CHO){1|H<1>,3|C<4>}	H(CC[5]HH)	109.4807	0.018	3	109.4807	0.000	3	109.5924	0.462	74	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(CH3)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4670	0.041	2	109.4670	0.002	2	109.5924	0.462	74	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(CNO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(CNO){1|C<3>,3|H<1>}	H(CC[5]HH)	109.4498	0.042	5	109.4498	0.002	5	109.5924	0.462	74	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(COO){1|C<3>,3|H<1>}	H(CC[5]HH)	109.4878	0.140	31	109.4878	0.020	31	109.5924	0.462	74	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CH3)(CCH){1|C<3>,1|H<1>,1|S<4>}	H(CC[5]HH)	109.4666	0.031	5	109.4666	0.001	5	109.5924	0.462	74	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CH3)(CCH){2|H<1>}	H(CC[5]HH)	109.4730	0.006	2	109.4730	0.000	2	109.5924	0.462	74	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CN)(C[5]N[5]HH)(CH3)(CCH)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CN)(C[5]N[5]HH)(CH3)(CCH){1|C<3>,1|H<1>,1|S<4>}	H(CC[5]HH)	109.4870	0.017	2	109.4870	0.000	2	109.5924	0.462	74	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(CCO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)(CCO){1|O<1>,2|H<1>}	H(CC[5]HH)	109.4723	0.025	3	109.4723	0.001	3	109.5924	0.462	74	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)(CCC)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)(CCC){1|S<4>,2|H<1>}	H(CC[5]HH)	109.4490	0.025	3	109.4490	0.001	3	109.5924	0.462	74	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3)(CCO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3)(CCO){1|O<1>}	H(CC[5]HH)	109.4980	0.011	2	109.4980	0.000	2	109.5924	0.462	74	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]ReC)(C[5]C[5]HH)(CH3)(CHO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]ReC)(C[5]C[5]HH)(CH3)(CHO){1|C<3>,2|H<1>}	H(CC[5]HH)	112.3470	2.166	3	112.3470	4.693	3	109.5924	0.462	74	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(COO)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)(COO){1|H<1>,4|C<3>}	H(CC[5]HH)	109.4640	0.021	6	109.4640	0.000	6	109.5924	0.462	74	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NCC)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NCC){1|N<3>,3|H<1>}	H(CC[5]HH)	109.4788	0.034	6	109.4788	0.001	6	109.5028	0.749	41	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NOO)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NOO){1|O<1>,2|H<1>}	H(CC[5]HH)	109.4640	0.011	2	109.4640	0.000	2	109.5028	0.749	41	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(NCH)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(NCH){4|H<1>}	H(CC[5]HH)	109.4627	0.030	3	109.4627	0.001	3	109.5028	0.749	41	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(NCH)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(NCH){1|C<4>,1|O<2>}	H(CC[5]HH)	109.6342	1.927	9	109.6342	3.714	9	109.5028	0.749	41	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]HH)(C[5]S[5]HH)(CH3)(NHS)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]HH)(C[5]S[5]HH)(CH3)(NHS){2|H<1>}	H(CC[5]HH)	109.4283	0.024	3	109.4283	0.001	3	109.5028	0.749	41	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)(NOO)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)(NOO){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4710	0.014	2	109.4710	0.000	2	109.5028	0.749	41	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CH3)(NOO)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CH3)(NOO){2|H<1>,3|C<3>}	H(CC[5]HH)	109.4593	0.041	3	109.4593	0.002	3	109.5028	0.749	41	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(NCH)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(NCH){2|C<3>,2|H<1>}	H(CC[5]HH)	109.4703	0.066	13	109.4703	0.004	13	109.5028	0.749	41	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(CH3)(CNO)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5]NiC)(C[5]C[5]HH)(CH3)(CNO){4|H<1>}	H(CC[5]HH)	109.4870	0.019	3	109.4870	0.000	3	109.4870	0.000	3	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:3:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]2C)(H)2(I)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CHHI)(COO)	H(CC[5]HI)	C(C[5]C[5]2C)(H)2(I)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CHHI)(COO){1|S<4>,2|H<1>}	H(CC[5]HI)	111.9310	1.092	2	111.9310	1.192	2	111.9310	1.192	2	109.5610	0.468	185	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5,5]-4:C-4:C-4:	C-4:	C(C[5]C[3,5,6]C[5,5]C)(H)3	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5]C[5,6a]C[5]2)(CH3)2	H(CC[5]HH)	C(C[5]C[3,5,6]C[5,5]C)(H)3	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5]C[5,6a]C[5]2)(CH3)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4635	0.039	4	109.4635	0.001	4	109.4635	0.001	4	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[3,5,6]C[5]C)(H)3	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[3,5,6]C[5]C)(H)3	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CHHO)(CH3){1|H<1>,5|C<4>}	H(CC[5]HH)	109.4470	0.000	1	109.4470	0.000	1	109.4470	0.000	1	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5,5]C[3]H)(C[5]C[5,5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5,5]C[3]H)(C[5]C[5,5]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	H(CC[5]HH)	109.4660	0.036	3	109.4660	0.001	3	109.4710	0.020	69	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]CH)(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]CH)(CC[5]HH)(CH3){3|H<1>}	H(CC[5]HH)	109.4505	0.016	2	109.4505	0.000	2	109.4710	0.020	69	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]O[3]C)(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]O[3]C)(C[5]O[5]HH)(CH3)2{1|C<3>}	H(CC[5]HH)	109.4837	0.511	6	109.4837	0.261	6	109.4710	0.020	69	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CH3)2	H(CC[5]HH)	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CH3)2{1|C<3>,2|H<1>}	H(CC[5]HH)	109.4894	0.036	8	109.4704	0.001	47	109.4710	0.020	69	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CH3)2	H(CC[5]HH)	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]CO)(CH3)2{1|C<4>,2|H<1>}	H(CC[5]HH)	109.4665	0.033	39	109.4704	0.001	47	109.4710	0.020	69	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	H(CC[5]HH)	109.4740	0.007	2	109.4740	0.000	2	109.4710	0.020	69	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	H(CC[5]HH)	109.4730	0.015	3	109.4712	0.000	9	109.4710	0.020	69	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[3,5]N[3,5]C[3]H)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4703	0.015	6	109.4712	0.000	9	109.4710	0.020	69	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[3,5]C[5]2)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(C[5]O[5]2H)(CH3)	H(CC[5]HH)	C(C[5]C[3,5]C[5]2)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(C[5]O[5]2H)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4463	0.034	3	109.4463	0.001	3	109.4463	0.001	3	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:N[5]-4:C-4:C-4:	C-4:	C(C[5]C[3,5]N[5]C)(H)3	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[3,5]N[5]C)(H)3	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]HH)(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4785	1.251	6	109.4785	1.564	6	109.4785	1.564	6	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[3x5]C[5]C)(H)3	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[3x5]C[5]C)(H)3	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(CC[5]HH)	109.4817	0.031	9	109.4817	0.001	9	109.4817	0.001	9	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]B[4]C[4]N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]B[4]C[4]N[5])(C[5]C[5]HH)(CH3)2{1|B<3>,1|C<3>,1|N<2>,1|N<3>,2|C<4>}	H(CC[5]HH)	109.4458	0.035	5	109.4458	0.001	5	109.6100	2.191	90	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]O[4]C)(C[5]N[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]O[4]C)(C[5]N[5]HH)(CH3)2{1|O<2>,2|C<3>}	H(CC[5]HH)	109.2621	1.556	27	109.2621	2.422	27	109.6100	2.191	90	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]O[4]C)(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]O[4]C)(C[5]O[5]HH)(CH3)2{1|C<3>,1|O<2>}	H(CC[5]HH)	109.8682	1.642	47	109.8682	2.695	47	109.6100	2.191	90	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2	H(CC[5]HH)	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2{1|C<3>,1|O<2>,2|O<1>}	H(CC[5]HH)	109.4465	0.424	6	109.4353	0.117	11	109.6100	2.191	90	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2	H(CC[5]HH)	C(C[5]C[4,5]C[5]C)(H)3	C[5](C[4,5]C[4,5]O[4]C)(C[5]S[5]HO)(CH3)2{1|C<3>,1|O<2>}	H(CC[5]HH)	109.4218	0.259	5	109.4353	0.117	11	109.6100	2.191	90	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5,6]C[5,6]C)(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5,6]C[5,6]C)(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6]C[6])(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(CC[5]HH)	109.4750	0.019	5	109.4750	0.000	5	109.4750	0.000	5	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5,6]C[5]C)(H)3	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HO)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]C)(H)3	C[5](C[5,5,6]C[5,5]O[5,6]C[6])(C[5]C[5]HO)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4672	0.022	5	109.4672	0.000	5	109.4752	0.001	26	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5,6]C[5]C)(H)3	C[5](C[5,5,6]C[5,6,6]C[5,6]O[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]C)(H)3	C[5](C[5,5,6]C[5,6,6]C[5,6]O[5])(C[5]C[5,6]HH)(CH3)2{1|H<1>,3|C<3>,3|C<4>}	H(CC[5]HH)	109.4733	0.040	12	109.4747	0.002	16	109.4752	0.001	26	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5,6]C[5]C)(H)3	C[5](C[5,5,6]C[5,6,6]C[5,6]O[5])(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]C)(H)3	C[5](C[5,5,6]C[5,6,6]C[5,6]O[5])(C[5]C[5,6]HH)(CH3)2{2|H<1>,3|C<3>,3|C<4>}	H(CC[5]HH)	109.4790	0.046	4	109.4747	0.002	16	109.4752	0.001	26	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5,6]C[5]C)(H)3	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HO)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5,6]C[5]C)(H)3	C[5](C[5,5,6]C[5,6]O[5,6]C[5])(C[5]C[5]HO)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4846	0.027	5	109.4846	0.001	5	109.4752	0.001	26	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]2C)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]2C)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]O)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(CC[5]HH)	109.4822	0.032	4	109.4822	0.001	4	110.7305	14.149	10	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]2C)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2O[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]2C)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2O[5])(CH3)2{1|C<4>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	H(CC[5]HH)	111.5627	4.836	6	111.5627	23.390	6	110.7305	14.149	10	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]2H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]2H)(CH3)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(CC[5]HH)	109.4477	0.021	4	109.4477	0.000	4	109.7721	8.703	98	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]Cl)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]Cl)(CCHH)(CH3){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(CC[5]HH)	109.5017	0.025	3	109.5017	0.001	3	109.7721	8.703	98	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(CC[5]HH)	109.4703	0.032	3	110.0329	16.404	52	109.7721	8.703	98	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(CC[5]HH)	111.0898	4.529	6	110.0329	16.404	52	109.7721	8.703	98	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<3>,4|C<4>,4|H<1>}	H(CC[5]HH)	109.4470	0.138	12	110.0329	16.404	52	109.7721	8.703	98	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.5010	3.743	6	110.0329	16.404	52	109.7721	8.703	98	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(CC[5]HH)	110.5530	7.886	6	110.0329	16.404	52	109.7721	8.703	98	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(CC[5]HH)	109.6955	7.505	6	110.0329	16.404	52	109.7721	8.703	98	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<2>,4|H<1>,5|C<4>}	H(CC[5]HH)	111.4390	2.874	6	110.0329	16.404	52	109.7721	8.703	98	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CH3)2{1|P<4>,4|H<1>,5|C<4>}	H(CC[5]HH)	109.4667	0.045	7	110.0329	16.404	52	109.7721	8.703	98	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CHHO)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(CC[5]HH)	109.4730	0.000	1	109.4730	0.000	1	109.7721	8.703	98	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]C[6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<3>,3|C<4>,6|H<1>}	H(CC[5]HH)	109.4928	0.029	5	109.4928	0.001	5	109.7721	8.703	98	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5]N[5]O)(C[5,6]C[5,6]C[6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,5]N[5]O)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4777	0.050	3	109.4777	0.003	3	109.7721	8.703	98	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(CC[5]HH)	109.4670	0.014	3	109.4670	0.000	3	109.7721	8.703	98	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4716	0.039	5	109.4783	0.001	23	109.7721	8.703	98	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]O)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(CC[5]HH)	109.4802	0.032	18	109.4783	0.001	23	109.7721	8.703	98	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5,6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	H(CC[5]HH)	109.4712	0.027	4	109.4712	0.001	4	109.7721	8.703	98	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,6]HH)(CH3)2{2|H<1>,5|C<4>}	H(CC[5]HH)	109.4694	0.041	10	109.4694	0.002	10	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4685	0.025	11	109.4641	0.001	20	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(CC[5]HH)	109.4472	0.035	4	109.4641	0.001	20	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(CC[5]HH)	109.4680	0.022	5	109.4641	0.001	20	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4578	0.030	5	109.4578	0.001	5	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]HH)(CH3)2{3|H<1>,4|C<4>}	H(CC[5]HH)	111.2713	1.508	6	111.2713	2.274	6	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HO)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HO)(CH3)2{1|C<3>,1|O<2>,5|H<1>}	H(CC[5]HH)	109.4648	0.015	5	109.4648	0.000	5	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CH3)2{1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4802	0.046	8	109.4802	0.002	8	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(CH3){1|O<1>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4603	0.044	3	109.4603	0.002	3	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CC)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CC)(CHHO)(CH3){1|O<1>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.6103	0.231	3	109.6103	0.053	3	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]Sc)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]Sc)(C[5]C[5]HH)(CH3)2{1|H<1>,4|C<4>}	H(CC[5]HH)	109.4723	0.049	8	109.4723	0.002	8	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CHHN)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CHHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[5]HH)	109.4550	0.069	3	109.4550	0.005	3	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]CH)(CH3)2{2|H<1>,3|C<3>}	H(CC[5]HH)	109.4563	0.015	3	109.4563	0.000	3	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]O[5]HH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]O[5]HH)(CCHH)(CH3){1|N<3>,3|C<3>}	H(CC[5]HH)	109.4683	0.024	3	109.4683	0.001	3	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CH3)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4772	0.024	4	109.4772	0.001	4	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CH3)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4574	0.042	5	109.4574	0.002	5	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(CCHO)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(CCHO)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[5]HH)	109.4660	0.017	2	109.4660	0.000	2	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCHH)(CH3){2|C<3>,2|O<1>}	H(CC[5]HH)	109.4760	0.025	3	109.4833	0.000	6	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCHH)(CH3){2|C<4>,2|O<1>}	H(CC[5]HH)	109.4907	0.019	3	109.4833	0.000	6	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HH)(CH3)2{1|O<1>,2|C<3>,3|C<4>}	H(CC[5]HH)	109.4640	0.008	2	109.4640	0.000	2	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C[6]H)(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C[6]H)(CC[5]HH)(CH3){4|C<4>,5|H<1>}	H(CC[5]HH)	109.4625	0.015	2	109.4625	0.000	2	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CH3)2{2|C<3>,2|O<1>}	H(CC[5]HH)	109.4592	0.039	5	109.4592	0.001	5	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]N[5,5]B[5]C)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]N[5,5]B[5]C)(C[5]C[5]HH)(CH3)2{1|N<3>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4670	0.023	5	109.4670	0.001	5	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]N[5]O[5]2)(C[5]C[6a]N[5]H)(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5,5]N[5]O[5]2)(C[5]C[6a]N[5]H)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	H(CC[5]HH)	109.4587	0.394	4	109.4587	0.155	4	109.5673	0.275	112	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]O[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]O[5]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(CC[5]HH)	109.4500	0.034	2	109.4500	0.001	2	109.4500	0.001	2	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6,6]C[5,5]C)(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,6a]C[5]2)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6,6]C[5,5]C)(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,6a]C[5]2)(CH3)2{1|C<4>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	H(CC[5]HH)	109.4775	0.021	4	109.4725	0.001	21	109.4723	0.001	28	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6,6]C[5,5]C)(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,6a]C[5]2)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6,6]C[5,5]C)(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,6a]C[5]2)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(CC[5]HH)	109.4713	0.032	17	109.4725	0.001	21	109.4723	0.001	28	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6,6]C[5,5]C)(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5]3)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6,6]C[5,5]C)(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5]3)(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|O<2>,7|H<1>}	H(CC[5]HH)	109.4818	0.014	4	109.4719	0.000	7	109.4723	0.001	28	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6,6]C[5,5]C)(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5]3)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6,6]C[5,5]C)(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5]3)(CH3)2{1|C<4>,1|O<1>,2|C<3>,2|N<3>,6|H<1>}	H(CC[5]HH)	109.4587	0.012	3	109.4719	0.000	7	109.4723	0.001	28	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6,6]C[5]C)(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6,6]C[5]C)(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(CC[5]HH)	109.4540	0.033	6	109.4540	0.001	6	109.8956	5.522	12	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6,6]C[5]C)(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]O[5]CC)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6,6]C[5]C)(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]O[5]CC)(CH3)2{2|H<1>,3|C<4>}	H(CC[5]HH)	110.3372	3.418	6	110.3372	11.680	6	109.8956	5.522	12	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2N[5])(CH3)2	H(CC[5]HH)	C(C[5]C[5,5]C[5,6]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2N[5])(CH3)2{1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(CC[5]HH)	109.4696	0.032	5	109.4696	0.001	5	109.4696	0.001	5	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]2C)(H)3	C[5](C[5,6]C[5,6]C[6]Ru)(C[5,6]C[6]N[5]O[6])(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]2C)(H)3	C[5](C[5,6]C[5,6]C[6]Ru)(C[5,6]C[6]N[5]O[6])(CH3)2{2|C<3>,2|H<1>,3|C<4>}	H(CC[5]HH)	109.4676	0.056	9	109.4676	0.003	9	109.4676	0.003	9	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[3,5,6]C[3,6]H)(C[5]C[5]HH)(CH3)2{1|H<1>,2|O<2>,4|C<4>}	H(CC[5]HH)	109.4820	0.019	5	109.4820	0.000	5	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(CHHO)(CH3){3|H<1>,4|C<4>}	H(CC[5]HH)	109.4697	0.028	3	109.4697	0.001	3	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(CH3)2{3|C<3>,3|H<1>}	H(CC[5]HH)	109.4507	0.031	8	109.4507	0.001	8	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CHHO)(CH3){1|O<2>,2|H<1>,4|C<4>}	H(CC[5]HH)	109.4707	0.017	3	109.4707	0.000	3	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)2{1|O<2>,2|H<1>,4|C<4>}	H(CC[5]HH)	109.4731	0.038	8	109.4731	0.001	8	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CHHO)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CC[5]HH)	109.4764	0.036	5	109.4764	0.001	5	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5]HH)	109.4848	0.025	5	109.4848	0.001	5	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(CCHH)(CH3){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4810	0.005	4	109.4810	0.000	4	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CO)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CO)(CH3)2{3|C<4>,4|H<1>}	H(CC[5]HH)	109.0908	0.504	5	109.0908	0.254	5	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3){2|C<4>,2|O<2>,3|H<1>}	H(CC[5]HH)	109.4857	0.027	6	109.4857	0.001	6	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HH)	109.4647	0.021	4	109.4647	0.000	4	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CH3)2{1|C<2>,1|S<4>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4887	0.042	9	109.4887	0.002	9	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]HH)	109.4840	0.007	2	109.4840	0.000	2	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCHH)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(CC[5]HH)	109.4633	0.030	3	109.4633	0.001	3	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,5|H<1>}	H(CC[5]HH)	109.4693	0.041	4	109.4693	0.002	4	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CH3)2{2|C<4>,3|H<1>}	H(CC[5]HH)	109.4750	0.022	5	109.4750	0.000	5	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HO)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HO)(CH3)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(CC[5]HH)	109.4713	0.024	3	109.4713	0.001	3	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)2{1|C<3>,2|H<1>,3|C<4>}	H(CC[5]HH)	110.7107	1.891	6	110.7107	3.574	6	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CH3)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	110.7696	1.743	12	110.7696	3.039	12	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(CH3){1|C<3>,4|C<4>}	H(CC[5]HH)	109.4855	0.011	2	109.4855	0.000	2	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]N[5,6]Si[6]H)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]N[5,6]Si[6]H)(C[5]C[5]HH)(CH3)2{2|C<3>,3|C<4>}	H(CC[5]HH)	109.4958	0.040	4	109.4958	0.002	4	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4725	0.005	2	109.4723	0.000	3	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	H(CC[5]HH)	109.4720	0.000	1	109.4723	0.000	3	109.6685	0.725	109	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[5,6]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]H)(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]2)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O[5]H)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	H(CC[5]HH)	109.4620	0.008	2	109.4620	0.000	2	109.4620	0.000	2	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]CH)(C[6]C[6]2H)(CH3)	H(CC[5]HH)	C(C[5]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5,6]CH)(C[6]C[6]2H)(CH3){2|C<3>,4|C<4>,4|H<1>}	H(CC[5]HH)	109.4847	0.030	3	109.4847	0.001	3	109.4847	0.001	3	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]B[5,5]HH)(C[5]N[5,5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]B[5,5]HH)(C[5]N[5,5]HH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	109.4737	0.028	4	109.4737	0.001	4	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]B[5]2N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]B[5]2N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,4|O<2>}	H(CC[5]HH)	109.4731	0.032	13	109.4731	0.001	13	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(CH3)2{1|B<3>,1|C<3>,3|C<4>}	H(CC[5]HH)	109.4610	0.017	5	109.4672	0.001	11	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]B[5]N[5]H)(C[5]C[5]HH)(CH3)2{1|B<4>,1|C<3>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4723	0.041	6	109.4672	0.001	11	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]B[5a]2N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]B[5a]2N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,4|O<2>}	H(CC[5]HH)	109.4698	0.022	4	109.4698	0.000	4	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]B[6]2N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]B[6]2N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,4|O<2>}	H(CC[5]HH)	109.4766	0.038	5	109.4766	0.001	5	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[3,5]HO)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[3,5]HO)2(CH3)2{1|C<4>,2|H<1>}	H(CC[5]HH)	109.4572	0.035	25	109.4572	0.001	25	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HH)	110.2687	0.507	6	110.2687	0.257	6	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4820	0.036	5	109.4820	0.001	5	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4633	0.050	6	109.4633	0.003	6	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CH3)2{1|C<3>,1|O<2>}	H(CC[5]HH)	109.4870	0.027	3	109.4870	0.001	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	109.4934	0.036	5	109.4934	0.001	5	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HH)	109.4787	0.040	7	109.4787	0.002	7	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4744	0.032	5	109.4701	0.001	10	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CH3)2{1|C<4>,1|H<1>,1|S<4>}	H(CC[5]HH)	109.4658	0.025	5	109.4701	0.001	10	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CHHI)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CHHI)(CH3){3|C<3>}	H(CC[5]HH)	109.5127	0.039	3	109.5127	0.002	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)(C[5]O[5]HH)(CH3)2{1|C<3>,1|C<4>}	H(CC[5]HH)	109.4543	0.019	3	109.4543	0.000	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]HH)2(CH3)2{2|C<3>,2|H<1>}	H(CC[5]HH)	109.4622	0.039	6	109.4622	0.002	6	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]HH)(CH3)2{1|N<3>,3|C<3>}	H(CC[5]HH)	109.4560	0.020	5	109.4560	0.000	5	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CH3)2{2|C<3>}	H(CC[5]HH)	109.4804	0.024	5	109.4804	0.001	5	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]HO)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6,6]HO)(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	110.6481	1.278	36	110.6481	1.633	36	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6,6]HH)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6,6]HH)2(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	110.1604	1.156	12	110.1604	1.336	12	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(CCHH)(CH3){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4793	0.022	6	109.4793	0.001	6	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CHHO)(CH3){1|H<1>,3|C<4>}	H(CC[5]HH)	109.4675	0.009	2	109.4675	0.000	2	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5]CH)(CH3)2{2|C<3>,2|H<1>}	H(CC[5]HH)	109.4463	0.040	8	109.4463	0.002	8	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5]HH)(CH3)2{2|C<3>,2|H<1>}	H(CC[5]HH)	109.4887	0.016	3	109.4887	0.000	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]CO)(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]CO)(C[5]O[5]HH)(CH3)2{1|C<3>,1|O<2>}	H(CC[5]HH)	109.7902	1.605	12	109.7902	2.576	12	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	110.1703	1.139	6	109.8887	0.853	10	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CH3)2{1|C<3>,1|N<3>}	H(CC[5]HH)	109.4663	0.021	4	109.8887	0.853	10	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HH)	109.4606	0.040	11	109.4598	0.001	17	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5]HH)(CH3)2{1|O<1>,2|C<4>}	H(CC[5]HH)	109.4582	0.038	6	109.4598	0.001	17	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	111.1622	1.558	6	110.1477	1.602	15	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(CH3)2{1|C<4>,1|H<1>,1|S<4>}	H(CC[5]HH)	109.4714	0.032	9	110.1477	1.602	15	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)2(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HH)	109.4707	0.026	4	110.0403	1.024	84	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	109.7437	0.783	16	110.0403	1.024	84	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)2(CH3)2{1|C<3>,1|O<2>}	H(CC[5]HH)	109.4632	0.035	5	110.0403	1.024	84	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	111.1937	1.341	6	110.0403	1.024	84	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)2(CH3)2{2|C<4>,2|H<1>}	H(CC[5]HH)	110.0967	1.022	53	110.0403	1.024	84	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HO)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HO)2(CH3)2{1|Cr<9>,2|C<4>}	H(CC[5]HH)	109.4804	0.018	5	109.4804	0.000	5	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCH)(CH3){2|C<3>}	H(CC[5]HH)	111.6493	1.544	3	111.6493	2.384	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(CH3){2|C<3>}	H(CC[5]HH)	109.4810	0.000	1	109.4810	0.000	1	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CH3)2{2|C<3>}	H(CC[5]HH)	109.7945	0.992	27	109.7945	0.985	27	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)2(CH3)2{2|C<3>}	H(CC[5]HH)	109.4767	0.053	12	109.4767	0.003	12	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)2(CHHN)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)2(CHHN)(CH3){2|C<3>}	H(CC[5]HH)	109.3340	3.120	3	109.3340	9.735	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)2(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HH)2(CHHO)(CH3){2|C<3>}	H(CC[5]HH)	109.4613	0.008	3	109.4613	0.000	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HO)2(CC[6a]2H)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6a]HO)2(CC[6a]2H)(CH3){2|C<3>}	H(CC[5]HH)	109.5023	0.039	3	109.5023	0.001	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CCHH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5]HH)	109.4620	0.006	2	109.4682	0.000	4	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CCHH)(CH3){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(CC[5]HH)	109.4745	0.008	2	109.4682	0.000	4	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CC[5]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5]HH)	109.4573	0.038	3	109.4573	0.001	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[5]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5]HH)	109.4573	0.009	3	109.4573	0.000	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CH3)2{4|H<1>}	H(CC[5]HH)	109.4667	0.068	78	109.4667	0.005	78	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COOU)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(COOU)(CH3){1|C<4>,3|H<1>}	H(CC[5]HH)	109.5183	0.050	7	109.5183	0.003	7	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHH)(CH3){4|H<1>}	H(CC[5]HH)	109.4630	0.017	4	109.4630	0.000	4	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)2(CH3)2{2|C<3>}	H(CC[5]HH)	110.8853	2.346	6	110.8853	5.502	6	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]CN)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]CN)(CH3)2{4|H<1>}	H(CC[5]HH)	109.4712	0.013	4	109.4712	0.000	4	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	109.4296	0.039	5	109.4522	0.002	9	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3){1|O<1>,2|H<1>}	H(CC[5]HH)	109.4805	0.014	4	109.4522	0.002	9	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4755	0.039	10	109.4755	0.002	10	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HH)	109.4807	0.022	3	109.4715	0.001	17	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4857	0.037	4	109.4715	0.001	17	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|N<2>,3|H<1>}	H(CC[5]HH)	109.4792	0.017	5	109.4715	0.001	17	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)2{1|N<3>,3|H<1>}	H(CC[5]HH)	109.4470	0.022	5	109.4715	0.001	17	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HH)	109.4703	0.030	3	109.4703	0.001	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(CH3){4|H<1>}	H(CC[5]HH)	109.4870	0.061	4	109.4870	0.004	4	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3){1|O<2>,3|H<1>}	H(CC[5]HH)	109.4680	0.031	2	109.4737	0.002	4	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3){4|H<1>}	H(CC[5]HH)	109.4795	0.066	2	109.4737	0.002	4	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HO)(CH3){1|O<2>,3|H<1>}	H(CC[5]HH)	109.4790	0.057	2	109.4790	0.003	2	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CF3)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CF3)(CH3){1|C<3>,2|H<1>}	H(CC[5]HH)	109.5052	0.057	6	109.5052	0.003	6	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CF3)(CH3){1|C<3>,2|H<1>}	H(CC[5]HH)	109.4825	0.019	2	109.4825	0.000	2	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(CH3){1|S<4>,2|H<1>}	H(CC[5]HH)	109.4590	0.009	3	109.4590	0.000	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)2{1|S<4>,2|H<1>}	H(CC[5]HH)	109.4765	0.032	8	109.4765	0.001	8	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CH3)2{1|O<1>}	H(CC[5]HH)	111.0675	2.153	6	110.1065	2.316	15	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CH3)2{2|C<4>}	H(CC[5]HH)	109.4658	0.026	9	110.1065	2.316	15	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CH)2(CH3)2{2|C<3>,2|H<1>}	H(CC[5]HH)	109.4665	0.029	4	109.4665	0.001	4	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)2{4|H<1>}	H(CC[5]HH)	109.4729	0.053	113	109.4729	0.003	113	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CH3)2{1|C<3>,3|H<1>}	H(CC[5]HH)	109.4600	0.020	4	109.4600	0.000	4	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4660	0.043	18	109.4721	0.001	56	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<3>,3|H<1>}	H(CC[5]HH)	109.4752	0.027	25	109.4721	0.001	56	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HH)	109.4868	0.029	5	109.4721	0.001	56	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<4>,3|H<1>}	H(CC[5]HH)	109.4669	0.031	8	109.4721	0.001	56	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)2{1|H<1>,2|C<3>}	H(CC[5]HH)	109.3978	0.565	12	109.3978	0.320	12	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CCHH)(CH3){1|O<1>}	H(CC[5]HH)	109.4575	0.028	6	109.4575	0.001	6	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C[6]C)(C[5]C[5]BrH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C[6]C)(C[5]C[5]BrH)(CH3)2{1|O<2>,2|C<4>,4|H<1>}	H(CC[5]HH)	109.4777	0.021	6	109.4777	0.000	6	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C[6]C)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,4|H<1>}	H(CC[5]HH)	110.4052	2.596	6	110.4052	6.738	6	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C[6]H)(C[5]N[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]C[6]H)(C[5]N[5]HH)(CH3)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(CC[5]HH)	109.4877	0.034	3	109.4877	0.001	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]FF)(C[5]O[5]CH)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]FF)(C[5]O[5]CH)(CHHO)(CH3){1|H<1>,1|N<3>}	H(CC[5]HH)	109.4720	0.020	3	109.4720	0.000	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CH3)2{4|H<1>}	H(CC[5]HH)	109.4711	0.039	8	109.4711	0.001	8	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(CH3){1|C<3>,3|H<1>}	H(CC[5]HH)	109.4620	0.028	3	109.4620	0.001	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCHH)(CH3){1|O<1>,2|H<1>}	H(CC[5]HH)	106.2533	2.599	3	106.2533	6.757	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4790	0.025	9	109.4911	0.001	15	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]BH)(CH3)2{3|C<4>}	H(CC[5]HH)	109.5092	0.044	6	109.4911	0.001	15	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(CH3){1|C<3>,1|H<1>}	H(CC[5]HH)	109.4543	0.038	3	109.4720	0.001	6	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CF3)(CH3){1|C<3>}	H(CC[5]HH)	109.4897	0.018	3	109.4720	0.001	6	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4680	0.021	12	109.4595	0.001	22	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2{1|S<4>,2|H<1>}	H(CC[5]HH)	109.4470	0.044	9	109.4595	0.001	22	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CH3)2{3|C<4>}	H(CC[5]HH)	109.4710	0.000	1	109.4595	0.001	22	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4858	0.057	19	109.4790	0.002	38	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|C<3>,1|H<1>,1|S<4>}	H(CC[5]HH)	109.4723	0.010	4	109.4790	0.002	38	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|C<4>,1|H<1>,1|S<4>}	H(CC[5]HH)	109.4876	0.029	5	109.4790	0.002	38	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|C<4>,2|C<3>}	H(CC[5]HH)	109.4598	0.037	5	109.4790	0.002	38	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CH3)2{1|H<1>,2|C<3>}	H(CC[5]HH)	109.4690	0.015	5	109.4790	0.002	38	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HN)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HN)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4703	0.008	3	109.4703	0.000	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HO)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HO)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4666	0.025	9	109.4666	0.001	9	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4720	0.004	2	109.4720	0.000	2	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCCO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCCO)(CH3){1|O<1>}	H(CC[5]HH)	109.4525	0.006	2	109.4525	0.000	2	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHO)(CH3){1|O<1>}	H(CC[5]HH)	109.4760	0.011	3	109.4760	0.000	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)2{1|C<3>,1|C<4>}	H(CC[5]HH)	109.4514	0.036	5	109.4514	0.001	5	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CH3)2{2|C<3>}	H(CC[5]HH)	109.4527	0.020	6	109.4527	0.000	6	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CCCH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CCCH)(CH3){1|C<4>,3|H<1>}	H(CC[5]HH)	109.4588	0.044	4	109.4588	0.002	4	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HH)	109.4735	0.038	21	109.6918	0.429	79	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HH)	110.3333	1.086	20	109.6918	0.429	79	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CH3)2{1|C<3>,1|N<3>,2|H<1>}	H(CC[5]HH)	109.4715	0.029	19	109.6918	0.429	79	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CH3)2{1|C<3>,1|N<4>,2|H<1>}	H(CC[5]HH)	109.4735	0.032	4	109.6918	0.429	79	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CH3)2{1|O<1>,2|C<3>}	H(CC[5]HH)	109.4718	0.033	5	109.6918	0.429	79	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CH3)2{2|C<3>,2|H<1>}	H(CC[5]HH)	109.4835	0.019	10	109.6918	0.429	79	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CHHN)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HH)2(CHHN)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HH)	109.4750	0.022	6	109.4750	0.000	6	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HN)(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HN)(C[5]O[5]HH)(CH3)2{1|O<1>}	H(CC[5]HH)	109.4590	0.011	4	109.4590	0.000	4	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(CH3){1|C<3>,2|H<1>}	H(CC[5]HH)	109.4710	0.000	1	109.4710	0.000	1	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	111.5685	1.229	6	110.3021	1.686	15	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4546	0.029	5	110.3021	1.686	15	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CH3)2{1|C<4>,1|O<1>}	H(CC[5]HH)	109.4617	0.011	4	110.3021	1.686	15	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]HH)(CH3)2{1|O<1>}	H(CC[5]HH)	110.2201	1.462	41	110.2201	2.138	41	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(CH3){1|C<4>,1|H<1>}	H(CC[5]HH)	109.4710	0.011	2	109.4710	0.000	2	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)2(CC[6a]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]HO)2(CC[6a]HH)(CH3){4|H<1>}	H(CC[5]HH)	109.4797	0.029	3	109.4797	0.001	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3){1|Co<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[5]HH)	109.4640	0.019	3	109.4694	0.001	20	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3){1|Co<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[5]HH)	109.4581	0.034	14	109.4694	0.001	20	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3){1|Co<6>,1|H<1>,1|N<3>,2|C<4>}	H(CC[5]HH)	109.5273	0.016	3	109.4694	0.001	20	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CH3)2{2|N<3>,3|C<4>}	H(CC[5]HH)	109.4555	0.042	11	109.4555	0.002	11	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CH3)2{1|N<2>,1|N<3>,3|C<4>}	H(CC[5]HH)	109.4620	0.010	2	109.4620	0.000	2	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6,6]C[5]C)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6,6]C[5]C)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,4|H<1>}	H(CC[5]HH)	111.7353	1.491	6	111.7353	2.224	6	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HO)(CH3)2{1|O<2>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4590	0.016	3	109.4590	0.000	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4580	0.065	3	109.4580	0.004	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)2{2|C<3>,4|H<1>}	H(CC[5]HH)	109.4620	0.039	5	109.4620	0.002	5	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHO)(CH3){1|B<3>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4720	0.038	3	109.4720	0.001	3	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[6]N[5])(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[6]N[5])(C[5]C[5]HH)(CH3)2{1|H<1>,3|C<4>,4|C<3>}	H(CC[5]HH)	109.4798	0.039	5	109.4798	0.002	5	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CF3)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CF3)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[5]HH)	109.4600	0.060	6	109.4600	0.004	6	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	H(CC[5]HH)	110.7672	0.892	6	110.7672	0.795	6	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]Si[5]CH)(CH3)2{2|C<3>,2|C<4>}	H(CC[5]HH)	110.6328	1.454	6	110.6328	2.114	6	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]AlH)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]AlH)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4700	0.033	4	109.4700	0.001	4	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]GaH)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]GaH)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4783	0.031	29	109.4783	0.001	29	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]NiC)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]NiC)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4657	0.025	4	109.4657	0.001	4	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	H(CC[5]HH)	109.4581	0.041	15	109.4581	0.002	15	109.6692	0.628	1201	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-4:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NH3)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NH3){1|C<3>,3|H<1>}	H(CC[5]HH)	109.4593	0.030	3	109.4715	0.001	8	109.4715	0.001	8	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-4:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NH3)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NH3){1|N<4>,3|H<1>}	H(CC[5]HH)	109.4788	0.034	5	109.4715	0.001	8	109.4715	0.001	8	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[5]3)(H)3	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]C[5]HH)(CH3){2|O<2>,3|C<4>,5|H<1>}	H(CC[5]HH)	111.8855	1.476	6	111.8855	2.177	6	110.9224	2.756	10	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2O)(C[5]C[5]HH)(C[5]O[5]CH)(CH3)	H(CC[5]HH)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2O)(C[5]C[5]HH)(C[5]O[5]CH)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[5]HH)	109.4805	0.008	2	109.4805	0.000	2	110.9224	2.756	10	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]HO)(CH3)	H(CC[5]HH)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]HO)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(CC[5]HH)	109.4750	0.016	2	109.4750	0.000	2	110.9224	2.756	10	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5]C[5]2C[6])(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(C[6]C[6]2O)(CH3)	H(CC[5]HH)	C(C[5]C[5]2C[6])(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(C[6]C[6]2O)(CH3){1|Br<1>,2|C<4>,7|H<1>}	H(CC[5]HH)	109.5067	0.021	3	109.5067	0.000	3	109.5067	0.000	3	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-4:C-4:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NCdHH)(CH3){1|N<3>,3|H<1>}	H(CC[5]HH)	109.3815	0.122	6	109.3815	0.015	6	109.4513	0.006	31	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-4:C-4:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NNiHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NNiHH)(CH3){1|N<3>,3|H<1>}	H(CC[5]HH)	109.4821	0.066	7	109.4821	0.004	7	109.4513	0.006	31	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-4:C-4:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NPtHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NPtHH)(CH3){1|N<4>,3|H<1>}	H(CC[5]HH)	109.4523	0.031	3	109.4523	0.001	3	109.4513	0.006	31	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-4:C-4:	C-4:	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NZnHH)(CH3)	H(CC[5]HH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(NZnHH)(CH3){1|N<3>,3|H<1>}	H(CC[5]HH)	109.4646	0.047	15	109.4646	0.002	15	109.4513	0.006	31	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:S-4:C-4:	C-4:	C(C[5]C[5]2S)(H)3	C[5](C[5]C[3,5]HH)2(SC[6a]OO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2S)(H)3	C[5](C[5]C[3,5]HH)2(SC[6a]OO)(CH3){1|S<3>,2|H<1>}	H(CC[5]HH)	109.4757	0.012	3	109.4757	0.000	3	109.4842	0.000	6	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:S-4:C-4:	C-4:	C(C[5]C[5]2S)(H)3	C[5](C[5]C[5]HH)2(SC[6a]OO)(CH3)	H(CC[5]HH)	C(C[5]C[5]2S)(H)3	C[5](C[5]C[5]HH)2(SC[6a]OO)(CH3){1|H<1>,1|S<4>}	H(CC[5]HH)	109.4927	0.019	3	109.4927	0.000	3	109.4842	0.000	6	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:Si-4:C-4:	C-4:	C(C[5]C[5]2Si)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SiC3)(CH3)	H(CC[5]HH)	C(C[5]C[5]2Si)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SiC3)(CH3){1|H<1>,1|O<1>}	H(CC[5]HH)	109.4800	0.040	3	109.4800	0.002	3	110.5851	1.136	9	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:Si-4:C-4:	C-4:	C(C[5]C[5]2Si)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SiC[6a]CC)(CH3)	H(CC[5]HH)	C(C[5]C[5]2Si)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SiC[6a]CC)(CH3){1|C<3>,1|O<1>}	H(CC[5]HH)	110.4273	0.178	3	110.4273	0.032	3	110.5851	1.136	9	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:Si-4:C-4:	C-4:	C(C[5]C[5]2Si)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HO)(SiC[6a]CC)(CH3)	H(CC[5]HH)	C(C[5]C[5]2Si)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HO)(SiC[6a]CC)(CH3){1|H<1>,1|O<1>}	H(CC[5]HH)	111.8480	0.498	3	111.8480	0.248	3	110.5851	1.136	9	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]O[5]CH)(CCHO)(CH3)	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]HH)(N[5]O[5]CH)(CCHO)(CH3){2|H<1>}	H(CC[5]HH)	109.5027	0.023	3	109.5027	0.001	3	109.5027	0.001	3	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CH3)2	H(CC[5]HH)	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4793	0.058	10	109.4793	0.003	10	109.4818	0.003	13	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CN[5a]HH)(CH3)	H(CC[5]HH)	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CN[5a]HH)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HH)	109.4900	0.012	3	109.4900	0.000	3	109.4818	0.003	13	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	Ge[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]Ge[5]C[5]C)(H)3	C[5](Ge[5]N[5]Te2)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]Ge[5]C[5]C)(H)3	C[5](Ge[5]N[5]Te2)(C[5]C[5]HH)(CH3)2{1|C<4>,1|N<3>}	H(CC[5]HH)	109.4623	0.070	14	109.4623	0.005	14	109.4623	0.005	14	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[3,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[3,5]C[5]C)(H)3	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[3,5]C[5]C)(H)3	C[5](N[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4743	0.022	3	109.4743	0.000	3	109.4727	0.000	9	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[3,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[3,5]C[5]C)(H)3	C[5](N[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[3,5]C[5]C)(H)3	C[5](N[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	H(CC[5]HH)	109.4718	0.019	6	109.4718	0.000	6	109.4727	0.000	9	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[3x5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[3x5]C[5]C)(H)3	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]N[3x5]C[5]C)(H)3	C[5](N[3x5]Ge[3x5]C[5]2)(C[5]O[5]HH)(CH3)2{1|Br<1>,2|C<4>,2|O<2>,4|H<1>}	H(CC[5]HH)	109.4684	0.023	5	109.4684	0.001	5	109.4684	0.001	5	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5]GdO)(C[5]N[5]CC)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5]GdO)(C[5]N[5]CC)(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4862	0.055	6	109.4862	0.003	6	109.4308	1.681	17	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5]IrH)(C[5]C[5]HH)(CH3)2{2|C<3>,2|H<1>}	H(CC[5]HH)	109.3268	2.314	6	109.3268	5.356	6	109.4308	1.681	17	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5]TbO)(C[5]N[5]CC)(CH3)2	H(CC[5]HH)	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[5]TbO)(C[5]N[5]CC)(CH3)2{1|C<3>,1|O<1>}	H(CC[5]HH)	109.4892	0.040	5	109.4892	0.002	5	109.4308	1.681	17	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]P[5]C)(H)3	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)2	H(CC[5]HH)	C(C[5]C[5]P[5]C)(H)3	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HH)	109.4547	0.024	7	109.4547	0.001	7	109.4547	0.001	7	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	Si[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]Si[5,5]C[5]C)(H)3	C[5](Si[5,5]Si[5]C[5]2)(C[5]C[5,6]HH)(CH3)2	H(CC[5]HH)	C(C[5]Si[5,5]C[5]C)(H)3	C[5](Si[5,5]Si[5]C[5]2)(C[5]C[5,6]HH)(CH3)2{1|H<1>,1|N<2>,3|C<3>,4|C<4>}	H(CC[5]HH)	109.4785	0.024	4	109.4785	0.001	4	109.4785	0.001	4	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(H)2(I)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CHHI)(CH3)	H(CC[5]HI)	C(C[5]C[5]2C)(H)2(I)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]HH)(CHHI)(CH3){3|C<3>}	H(CC[5]HI)	108.4755	0.018	2	108.4755	0.000	2	108.4755	0.000	2	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	4:4:4:4:	4:	C[5]-4:H-1:H-1:O-1:	N[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(H)2(O)	C[5](N[5]C[5]NiH)(C[5]O[5]HH)(CHHO)2	H(CC[5]HO)	C(C[5]C[5]N[5]C)(H)2(O)	C[5](N[5]C[5]NiH)(C[5]O[5]HH)(CHHO)2{1|C<3>,1|H<1>}	H(CC[5]HO)	109.4040	0.000	1	109.4040	0.000	1	109.4040	0.000	1	109.6517	1.137	1946	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	5:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	Si[3,3]-5:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]Si[3,3]C[5]2)(H)3	C[5](Si[3,3]Si[3,3]O[3]2N)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]Si[3,3]C[5]2)(H)3	C[5](Si[3,3]Si[3,3]O[3]2N)(C[5]C[5]C)2(CH3){1|N<3>,3|C<4>}	H(CC[5]HH)	109.4603	0.028	6	109.4603	0.001	6	109.4603	0.001	6	109.4603	0.001	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	5:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5]-5:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]IrCC)(C[5]C[5]IrH)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]IrCC)(C[5]C[5]IrH)(CH3)(H){2|C<3>}	H(CC[5]HH)	109.4403	0.056	3	109.4403	0.003	3	109.4403	0.003	3	109.4403	0.003	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	6:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	B[5x3]-6:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]B[5x3]C[5]2)(H)3	C[5](B[5x3]C[3,3,5]5)(C[5]C[5]C)2(CH3)	H(CC[5]HH)	C(C[5]B[5x3]C[5]2)(H)3	C[5](B[5x3]C[3,3,5]5)(C[5]C[5]C)2(CH3){7|C<4>}	H(CC[5]HH)	109.4471	0.064	12	109.4471	0.004	12	109.4471	0.004	12	109.4469	0.003	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	6:3:3:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5x3,5x5,20x6]-6:C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5x3,5x5,20x6]C[5,6a]C[5])(H)3	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	H(CC[5]HH)	C(C[5]C[5x3,5x5,20x6]C[5,6a]C[5])(H)3	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,5|B<6>,6|H<1>}	H(CC[5]HH)	109.4455	0.015	2	109.4455	0.000	2	109.4455	0.000	2	109.4469	0.003	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	6:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5x3,6x5,20x6]C[5,5]H)(H)3	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]Ru)(CH3)(H)	H(CC[5]HH)	C(C[5]C[5x3,6x5,20x6]C[5,5]H)(H)3	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]Ru)(CH3)(H){2|C<4>,5|B<6>,5|H<1>}	H(CC[5]HH)	109.4015	0.054	2	109.4015	0.003	2	109.4015	0.003	2	109.4638	0.005	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	6:4:4:1:	4:	C[5]-4:H-1:H-1:H-1:	Ge[3x5]-6:C[5]-4:C-4:H-1:	C-4:	C(C[5]Ge[3x5]C[5]H)(H)3	C[5](Ge[3x5]N[5,6]2O[5]3)(C[5]C[5]HH)(CH3)(H)	H(CC[5]HH)	C(C[5]Ge[3x5]C[5]H)(H)3	C[5](Ge[3x5]N[5,6]2O[5]3)(C[5]C[5]HH)(CH3)(H){1|O<1>,6|C<3>}	H(CC[5]HH)	109.5053	0.048	3	109.5053	0.002	3	109.5053	0.002	3	109.4638	0.005	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	6:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5,5]-4:C-4:C-4:	C-4:	C(C[5]C[5x3,6x5,20x6]C[5,5]C)(H)3	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]Ru)(CH3)2	H(CC[5]HH)	C(C[5]C[5x3,6x5,20x6]C[5,5]C)(H)3	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]Ru)(CH3)2{2|C<4>,5|B<6>,5|H<1>}	H(CC[5]HH)	109.4689	0.030	18	109.4669	0.001	23	109.4669	0.001	23	109.4669	0.001	23	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:1:1:1:	6:4:4:4:	4:	C[5]-4:H-1:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5,5]-4:C-4:C-4:	C-4:	C(C[5]C[5x3,6x5,20x6]C[5,5]C)(H)3	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]Ru)(CH3)2	H(CC[5]HH)	C(C[5]C[5x3,6x5,20x6]C[5,5]C)(H)3	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,5]C[5,5]C[5]Ru)(CH3)2{3|C<4>,4|H<1>,5|B<6>}	H(CC[5]HH)	109.4596	0.030	5	109.4669	0.001	23	109.4669	0.001	23	109.4669	0.001	23	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	2:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	O[5]-2:S[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]S[5]H)(OH)(H)2	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]O[5]S[5]H)(OH)(H)2	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	109.0782	0.932	68	109.0782	0.869	68	109.0782	0.869	68	109.0782	0.869	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	2:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	S[5]-2:S[5]-2:C-4:C-4:	C-4:	C(C[5]S[5]2C)(OH)(H)2	C[5](S[5]C[5,6a])2(CHHO)(CH3)	H(CC[5]HO)	C(C[5]S[5]2C)(OH)(H)2	C[5](S[5]C[5,6a])2(CHHO)(CH3){2|C<3>}	H(CC[5]HO)	109.2530	0.428	7	109.2530	0.183	7	109.2530	0.183	7	109.2530	0.183	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	2:3:4:2:	4:	C[5]-4:O-2:H-1:H-1:	O[5]-2:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](O[5]C[5,5])(C[5]C[5]H)(CHHO)(OH)	H(CC[5]HO)	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](O[5]C[5,5])(C[5]C[5]H)(CHHO)(OH){1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HO)	109.7310	0.000	1	109.7310	0.000	1	109.7310	0.000	1	109.7310	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:2:2:4:	4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[6a]O[5]2)(OH)(H)2	C[5](C[6a]C[6a]2)(O[5]C[5])2(CHHO)	H(CC[5]HO)	C(C[5]C[6a]O[5]2)(OH)(H)2	C[5](C[6a]C[6a]2)(O[5]C[5])2(CHHO){1|N<3>,2|C<3>,5|H<1>}	H(CC[5]HO)	108.9860	0.000	1	108.9860	0.000	1	108.9860	0.000	1	108.9860	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6a]O[5]H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H){1|H<1>,1|N<2>,2|C<3>}	H(CC[5]HO)	110.2155	0.012	2	110.2520	0.002	4	110.2520	0.002	4	109.2211	0.579	24	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6a]O[5]H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HO)	110.2885	0.009	2	110.2520	0.002	4	110.2520	0.002	4	109.2211	0.579	24	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	H(CC[5]HO)	109.5337	0.294	4	109.5337	0.087	4	109.3239	0.200	14	109.2211	0.579	24	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC[6])(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC[6])(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	H(CC[5]HO)	110.0935	0.008	2	110.0935	0.000	2	109.3239	0.200	14	109.2211	0.579	24	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	109.0503	0.225	6	109.0503	0.051	6	109.3239	0.200	14	109.2211	0.579	24	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	H(CC[5]HO)	108.9555	0.022	2	108.9555	0.000	2	109.3239	0.200	14	109.2211	0.579	24	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:2:4:1:	4:	C[5]-4:S-2:H-1:H-1:	N[5]-3:S[5]-2:C-4:H-1:	C-4:	C(C[5]N[5]S[5]H)(SC)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(CHHS)(H)	H(CC[5]HS)	C(C[5]N[5]S[5]H)(SC)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(CHHS)(H){1|C<3>,3|H<1>}	H(CC[5]HS)	107.6760	0.016	2	107.6760	0.000	2	107.6760	0.000	2	109.2211	0.579	24	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:2:4:1:	4:	C[5]-4:Se-2:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(SeC[6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSeHH)(H)	H(CC[5]SeH)	C(C[5]C[5,6a]O[5]H)(SeC[6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSeHH)(H){1|H<1>,1|N<2>,2|C<3>}	H(CC[5]SeH)	108.6030	0.059	4	108.6030	0.004	4	108.6030	0.004	4	109.2211	0.579	24	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:2:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-3:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(OH)	H(CC[5]HO)	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(OH){1|C<4>,1|O<1>}	H(CC[5]HO)	109.6240	0.045	2	109.6240	0.002	2	109.6240	0.002	2	109.6240	0.002	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:2:4:4:	4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]N[5]C)(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]C)(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)(CH3){1|H<1>,2|C<3>,2|O<1>}	H(CC[5]CH)	108.7270	0.467	2	108.7270	0.218	2	108.7270	0.218	2	109.5130	0.896	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]N[5]O)(O[5]C[5])(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]N[5]O)(O[5]C[5])(CHHO)(CH3){1|C<4>,1|O<1>}	H(CC[5]HO)	110.2990	0.007	2	110.2990	0.000	2	110.2990	0.000	2	109.5130	0.896	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:2:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5,6a]C[6a]O[5])(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CHHO)	H(CC[5]HO)	C(C[5]C[5,6a]C[6a]O[5])(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CHHO){1|O<1>,3|H<1>,4|C<3>}	H(CC[5]HO)	109.1370	0.017	2	109.1370	0.000	2	109.1370	0.000	2	109.1370	0.000	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:3:4:	4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C[6a])(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6]C[6a])(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(CCHH){2|C<4>,3|H<1>,4|C<3>}	H(CC[5]CH)	108.8930	0.203	4	108.8930	0.041	4	108.8930	0.041	4	109.5529	0.586	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:3:4:	4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]N[5])(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[6a]N[5])(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]H)(CCHH){2|O<1>,3|H<1>,4|C<3>}	H(CC[5]CH)	110.0190	1.458	2	110.0190	2.126	2	110.0190	2.126	2	109.5529	0.586	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:3:4:	4:	C[5]-4:N-2:H-1:H-1:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5,5a]C[6a])(NN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(CHHN)	H(CC[5]HN)	C(C[5]C[5,6a]N[5,5a]C[6a])(NN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(CHHN){1|N<2>,3|H<1>,5|C<3>}	H(CC[5]HN)	109.6410	0.480	4	109.6410	0.230	4	109.6410	0.230	4	109.5529	0.586	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:3:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	H(CC[5]HO)	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(CC[5]HO)	109.2922	0.367	5	109.3123	0.110	6	109.3123	0.110	6	109.5529	0.586	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:3:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	H(CC[5]HO)	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(CC[5]HO)	109.4130	0.000	1	109.3123	0.110	6	109.3123	0.110	6	109.5529	0.586	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:3:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:N[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]N[5])(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[5])(C[5]N[5]O)(CHHO)	H(CC[5]HO)	C(C[5]C[5,6a]C[5]N[5])(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[5])(C[5]N[5]O)(CHHO){2|C<4>,3|H<1>,4|C<3>}	H(CC[5]HO)	110.9525	0.071	2	110.9525	0.005	2	110.9525	0.005	2	109.5529	0.586	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5,5]H)(CN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5,5]H)(CN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	H(CC[5]CH)	109.2170	0.027	2	109.2170	0.001	2	109.2170	0.001	2	110.0130	1.045	122	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(CN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(CN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	110.0130	1.045	122	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]2H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6a]2H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H){2|H<1>,4|C<3>}	H(CC[5]HO)	110.1019	1.020	100	110.1019	1.041	100	110.0815	1.042	102	110.0130	1.045	122	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]2H)(OC[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6a]2H)(OC[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H){2|H<1>,4|C<3>}	H(CC[5]HO)	109.0600	0.059	2	109.0600	0.004	2	110.0815	1.042	102	110.0130	1.045	122	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6a]N[5]H)(OC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]HO)	109.9855	0.023	2	109.9855	0.001	2	109.9855	0.001	2	110.0130	1.045	122	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]O)(N[5]C[5]H)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]O)(N[5]C[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HO)	110.2488	0.213	6	110.2488	0.046	6	110.2488	0.046	6	110.0130	1.045	122	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHHO)(H){1|C<4>,1|O<1>,3|C<3>}	H(CC[5]HO)	110.6455	0.015	2	110.6455	0.000	2	110.6455	0.000	2	110.0130	1.045	122	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	S[5]-3:S[5]-3:C-4:H-1:	C-4:	C(C[5]S[5]2H)(OC)(H)2	C[5](S[5]C[5]O)2(CHHO)(H)	H(CC[5]HO)	C(C[5]S[5]2H)(OC)(H)2	C[5](S[5]C[5]O)2(CHHO)(H){4|H<1>}	H(CC[5]HO)	109.8480	2.100	2	109.8480	4.410	2	109.8480	4.410	2	110.0130	1.045	122	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:S-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(SC)(H)2	C[5](C[5]O[5]O)(N[5]C[5]H)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SC)(H)2	C[5](C[5]O[5]O)(N[5]C[5]H)(CHHS)(H){1|O<1>}	H(CC[5]HS)	108.0675	0.033	2	108.0675	0.001	2	108.0675	0.001	2	110.0130	1.045	122	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:S-2:H-1:H-1:	N[5,5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(SC[6])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CHHS)(H)	H(CC[5]HS)	C(C[5]N[5,5]C[5]H)(SC[6])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CHHS)(H){1|O<1>,1|O<2>,2|C<4>}	H(CC[5]HS)	110.3050	0.000	1	110.3050	0.000	1	110.3050	0.000	1	110.0130	1.045	122	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:1:	4:	C[5]-4:Se-2:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(SeC[6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CSeHH)(H)	H(CC[5]SeH)	C(C[5]C[5,6a]N[5]H)(SeC[6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CSeHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]SeH)	108.3745	0.060	2	108.3745	0.004	2	108.3745	0.004	2	110.0130	1.045	122	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:2:	4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	107.2650	0.796	2	107.2650	0.634	2	108.3163	0.811	6	108.2834	1.894	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:2:	4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|H<1>,1|O<2>,2|C<3>}	H(CC[5]CH)	108.6785	0.013	2	108.8420	0.036	4	108.3163	0.811	6	108.2834	1.894	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:2:	4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	H(CC[5]CH)	109.0055	0.018	2	108.8420	0.036	4	108.3163	0.811	6	108.2834	1.894	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH)	H(CC[5]HO)	C(C[5]C[5,6a]C[5]O)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HO)	108.1841	1.755	10	108.1841	3.078	10	108.2670	2.557	12	108.2834	1.894	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(OO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OO)	H(CC[5]HO)	C(C[5]C[5,6a]C[5]O)(OO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OO){2|C<3>,2|H<1>}	H(CC[5]HO)	108.6815	0.067	2	108.6815	0.005	2	108.2670	2.557	12	108.2834	1.894	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:3:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(CHHO)(COO)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(CHHO)(COO){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HO)	110.2018	0.106	6	110.2018	0.011	6	110.2018	0.011	6	110.2018	0.011	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:4:	4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	H(CC[5]CH)	108.6080	0.034	3	108.6080	0.001	3	108.6080	0.001	3	109.0689	0.382	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:4:	4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	109.0635	0.006	2	109.0635	0.000	2	109.0123	0.008	3	109.0689	0.382	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:4:	4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC3)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.9100	0.000	1	108.9100	0.000	1	109.0123	0.008	3	109.0689	0.382	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:4:	4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]N[5]C)(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]N[5]C)(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)2{1|H<1>,2|C<3>,2|O<1>}	H(CC[5]CH)	107.9050	0.318	2	107.9050	0.101	2	107.9050	0.101	2	109.0689	0.382	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CHHO)	H(CC[5]HO)	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CHHO){1|Cl<1>,3|C<3>}	H(CC[5]HO)	109.7055	0.025	2	109.7055	0.001	2	109.7055	0.001	2	109.0689	0.382	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(CHHO)2	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(CHHO)2{3|H<1>}	H(CC[5]HO)	109.4873	0.321	4	109.4873	0.103	4	109.4873	0.103	4	109.0689	0.382	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]N[5,6]C[5]C)(OH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]N[5,6]C[5]C)(OH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CHHO)(CH3){1|C<3>,1|O<1>,2|C<4>}	H(CC[5]HO)	109.5360	0.052	2	109.5360	0.003	2	109.5360	0.003	2	109.0689	0.382	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:2:4:	4:	C[5]-4:O-2:H-1:H-1:	N[6a]-3:C[5]-4:S[5]-2:C-4:	C-4:	C(C[5]N[6a]C[5]S[5])(OH)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(CHHO)	H(CC[5]HO)	C(C[5]N[6a]C[5]S[5])(OH)(H)2	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(CHHO){1|C<3>,1|N<2>,1|O<1>,5|H<1>}	H(CC[5]HO)	106.9735	1.621	2	106.9735	2.629	2	106.9735	2.629	2	108.1843	1.406	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:2:4:	4:	C[5]-4:Se-2:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(SeC[6a])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH)	H(CC[5]SeH)	C(C[5]C[6a]C[5]O[5])(SeC[6a])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	H(CC[5]SeH)	108.8085	0.026	2	108.7897	0.001	4	108.7897	0.001	4	108.1843	1.406	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:2:4:	4:	C[5]-4:Se-2:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(SeC[6a])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH)	H(CC[5]SeH)	C(C[5]C[6a]C[5]O[5])(SeC[6a])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH){1|O<1>,2|C<3>,4|H<1>}	H(CC[5]SeH)	108.7710	0.006	2	108.7897	0.001	4	108.7897	0.001	4	108.1843	1.406	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,6]C)(C[5]O[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,6]C)(C[5]O[5]HH)(CHHO)(H){2|C<4>}	H(CC[5]HO)	109.3185	0.028	2	109.3185	0.001	2	109.3185	0.001	2	109.5609	0.535	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[4,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[4,5]C[5]H)(OH)(H)2	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(CHHO)(H)	H(CC[5]HO)	C(C[5]N[4,5]C[5]H)(OH)(H)2	C[5](N[4,5]C[4,5]C[4])(C[5]S[5]CC)(CHHO)(H){1|C<4>,1|H<1>,3|O<1>}	H(CC[5]HO)	109.5965	0.012	2	109.5965	0.000	2	109.5965	0.000	2	109.5609	0.535	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(OC)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	H(CC[5]HO)	C(C[5]N[5,5]C[5]H)(OC)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]HO)	110.2600	1.226	2	109.7976	0.496	9	109.3415	0.744	23	109.5609	0.535	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(OC)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	H(CC[5]HO)	C(C[5]N[5,5]C[5]H)(OC)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HO)	109.6654	0.564	7	109.7976	0.496	9	109.3415	0.744	23	109.5609	0.535	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(OC)(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5]H)(CHHO)(H)	H(CC[5]HO)	C(C[5]N[5,5]C[5]H)(OC)(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5]H)(CHHO)(H){1|S<2>,4|C<3>}	H(CC[5]HO)	109.8340	0.011	2	109.8340	0.000	2	109.3415	0.744	23	109.5609	0.535	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(OH)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]N[5,5]C[5]H)(OH)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(CHHO)(H){1|H<1>,1|O<1>,4|C<4>}	H(CC[5]HO)	108.4085	0.025	2	108.4085	0.001	2	109.3415	0.744	23	109.5609	0.535	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(OH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	H(CC[5]HO)	C(C[5]N[5,5]C[5]H)(OH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]HO)	109.0198	1.003	8	109.0198	1.006	8	109.3415	0.744	23	109.5609	0.535	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(OSi)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	H(CC[5]HO)	C(C[5]N[5,5]C[5]H)(OSi)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]HO)	109.0170	0.484	2	109.0170	0.234	2	109.3415	0.744	23	109.5609	0.535	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(OH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]N[5,6]C[5]H)(OH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)(H){1|C<2>,3|C<4>,3|H<1>}	H(CC[5]HO)	110.0450	0.021	2	110.0450	0.000	2	109.7531	0.191	8	109.5609	0.535	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(OH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]N[5,6]C[5]H)(OH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(CHHO)(H){3|H<1>,4|C<4>}	H(CC[5]HO)	108.9680	0.000	1	108.9680	0.000	1	109.7531	0.191	8	109.5609	0.535	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(OH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]N[5,6]C[5]H)(OH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(CHHO)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(CC[5]HO)	109.2920	0.000	1	109.2920	0.000	1	109.7531	0.191	8	109.5609	0.535	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(OSi)(H)2	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]N[5,6]C[5]H)(OSi)(H)2	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HO)	109.6820	0.028	2	109.6820	0.001	2	109.7531	0.191	8	109.5609	0.535	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(OSi)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]N[5,6]C[5]H)(OSi)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|S<2>,2|O<1>}	H(CC[5]HO)	110.1555	0.005	2	110.1555	0.000	2	109.7531	0.191	8	109.5609	0.535	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[5,6a]-3:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6a]C[5,5]H)(OH)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CHHO)(H)	H(CC[5]HO)	C(C[5]N[5,6a]C[5,5]H)(OH)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(CC[5]HO)	109.4990	0.010	2	109.4990	0.000	2	109.4990	0.000	2	109.5609	0.535	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,4|H<1>}	H(CC[5]HO)	109.5755	0.217	4	109.5755	0.047	4	110.0106	0.375	9	109.5609	0.535	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H){2|C<3>,4|H<1>}	H(CC[5]HO)	109.6910	0.023	2	109.6910	0.001	2	110.0106	0.375	9	109.5609	0.535	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC[6a])(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC[6a])(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]HO)	110.8037	0.075	3	110.8037	0.006	3	110.0106	0.375	9	109.5609	0.535	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:C-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(CH3){1|H<1>,2|C<3>}	H(CC[5]CH)	109.0260	0.000	1	109.0260	0.000	1	109.0260	0.000	1	109.2436	0.265	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(OC)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5,6]C[5]C)(OC)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(CH3){1|C<3>,1|H<1>,4|C<4>}	H(CC[5]HO)	110.1475	0.043	2	110.1475	0.002	2	110.1475	0.002	2	109.2436	0.265	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHO)2	H(CC[5]HO)	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHO)2{2|C<3>,3|H<1>}	H(CC[5]HO)	108.8302	0.037	6	108.8302	0.001	6	108.8421	0.002	7	109.2436	0.265	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHHN)(CHHO)	H(CC[5]HO)	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHHN)(CHHO){2|C<3>,3|H<1>}	H(CC[5]HO)	108.9140	0.000	1	108.9140	0.000	1	108.8421	0.002	7	109.2436	0.265	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,5]C[5]C)(OC)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]N[5,5]C[5]C)(OC)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CHHO)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[5]HO)	109.7965	0.019	2	109.5485	0.082	4	109.5485	0.082	4	109.2436	0.265	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	3:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,5]C[5]C)(OC)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]N[5,5]C[5]C)(OC)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CHHO)(CH3){1|H<1>,1|O<1>,3|C<4>}	H(CC[5]HO)	109.3005	0.028	2	109.5485	0.082	4	109.5485	0.082	4	109.2436	0.265	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:2:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C-4:	C(C[5]C[5]O[5]O)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	H(CC[5]HO)	C(C[5]C[5]O[5]O)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.3842	0.395	6	109.3842	0.156	6	109.8943	1.112	24	109.8943	1.112	24	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:2:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C-4:	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	H(CC[5]HO)	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|I<1>,2|H<1>}	H(CC[5]HO)	109.3940	0.008	2	110.0643	1.336	18	109.8943	1.112	24	109.8943	1.112	24	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:2:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C-4:	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	H(CC[5]HO)	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HO)	110.2783	1.234	14	110.0643	1.336	18	109.8943	1.112	24	109.8943	1.112	24	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:2:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C-4:	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	H(CC[5]HO)	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|O<2>,3|H<1>}	H(CC[5]HO)	109.2370	0.045	2	110.0643	1.336	18	109.8943	1.112	24	109.8943	1.112	24	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:3:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-3:C-4:	C-4:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CN[5]O)(CHHO)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CN[5]O)(CHHO){1|C<4>,3|H<1>}	H(CC[5]HO)	108.8970	0.000	1	108.8970	0.000	1	108.8970	0.000	1	108.8970	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:C-2:Br-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC)(Br)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	H(CC[5]BrC)	C(C[5]C[5]O[5]H)(CC)(Br)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]BrC)	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:C-2:H-1:H-1:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6,6]O[5]H)(CC)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6,6]O[5]H)(CC)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5])(CCHH)(H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	H(CC[5]CH)	108.9315	0.029	2	108.9315	0.001	2	108.9315	0.001	2	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:C-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	H(CC[5]CH)	107.9540	1.370	2	108.3103	1.320	3	108.3103	1.320	3	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:C-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	H(CC[5]CH)	109.0230	0.000	1	108.3103	1.320	3	108.3103	1.320	3	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	H(CC[5]CH)	109.3350	0.246	8	109.3350	0.061	8	109.3194	0.043	15	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	109.4760	0.286	2	109.4760	0.082	2	109.3194	0.043	15	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CN)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CN)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H){1|C<3>,1|C<4>}	H(CC[5]CH)	109.1880	0.000	1	109.1880	0.000	1	109.3194	0.043	15	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CN)(H)2	C[5](C[5]C[5]CC)(O[5]N[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CN)(H)2	C[5](C[5]C[5]CC)(O[5]N[5])(CCHH)(H){1|C<3>}	H(CC[5]CH)	109.2050	0.010	2	109.2050	0.000	2	109.3194	0.043	15	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CN)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CN)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H){1|C<3>}	H(CC[5]CH)	109.2805	0.032	2	109.2805	0.001	2	109.3194	0.043	15	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:N-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(NN)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5,5]O[5]H)(NN)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|H<1>,1|O<2>,3|C<4>}	H(CC[5]HN)	110.1855	5.591	2	110.1855	31.260	2	110.1855	31.260	2	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:N-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NC)(H)2	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NC)(H)2	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHN)(H){2|C<4>}	H(CC[5]HN)	108.8175	3.091	4	108.8175	9.554	4	109.3761	2.255	24	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:N-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NC)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NC)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H){2|C<4>}	H(CC[5]HN)	109.1660	0.429	4	109.1660	0.184	4	109.3761	2.255	24	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:N-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NN)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NN)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	H(CC[5]HN)	109.1555	0.021	2	109.1555	0.000	2	109.3761	2.255	24	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:N-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NN)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NN)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HN)	109.4015	0.530	2	109.6273	1.558	14	109.3761	2.255	24	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:N-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NN)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NN)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,3|H<1>}	H(CC[5]HN)	109.5798	1.129	8	109.6273	1.558	14	109.3761	2.255	24	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:N-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NN)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NN)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,3|H<1>}	H(CC[5]HN)	109.8353	1.894	4	109.6273	1.558	14	109.3761	2.255	24	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[3,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[3,5]O[5]H)(OC)(H)2	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[3,5]O[5]H)(OC)(H)2	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	H(CC[5]HO)	110.2730	0.072	2	110.2730	0.005	2	109.9447	0.326	3	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[3,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[3,5]O[5]H)(OH)(H)2	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[3,5]O[5]H)(OH)(H)2	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,3|H<1>}	H(CC[5]HO)	109.2880	0.000	1	109.2880	0.000	1	109.9447	0.326	3	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[4,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[4,5]O[5]H)(OC)(H)2	C[5](C[4,5]C[4,5]C[4]C)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[4,5]O[5]H)(OC)(H)2	C[5](C[4,5]C[4,5]C[4]C)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,2|H<1>}	H(CC[5]HO)	110.3420	0.010	2	110.3420	0.000	2	109.6768	0.466	12	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[4,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[4,5]O[5]H)(OC)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[4,5]O[5]H)(OC)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,2|H<1>}	H(CC[5]HO)	110.0475	0.042	2	109.3756	0.898	5	109.6768	0.466	12	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[4,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[4,5]O[5]H)(OC)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[4,5]O[5]H)(OC)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<1>,3|H<1>}	H(CC[5]HO)	107.7490	0.000	1	109.3756	0.898	5	109.6768	0.466	12	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[4,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[4,5]O[5]H)(OC)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[4,5]O[5]H)(OC)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>,2|H<1>}	H(CC[5]HO)	109.5170	0.017	2	109.3756	0.898	5	109.6768	0.466	12	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[4,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[4,5]O[5]H)(OH)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[4,5]O[5]H)(OH)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|N<3>,3|H<1>}	H(CC[5]HO)	109.9770	0.000	1	109.7120	0.047	5	109.6768	0.466	12	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[4,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[4,5]O[5]H)(OH)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[4,5]O[5]H)(OH)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|N<3>,3|H<1>}	H(CC[5]HO)	109.4885	0.016	2	109.7120	0.047	5	109.6768	0.466	12	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[4,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[4,5]O[5]H)(OH)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[4,5]O[5]H)(OH)(H)2	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,4|H<1>}	H(CC[5]HO)	109.8030	0.008	2	109.7120	0.047	5	109.6768	0.466	12	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5,6]O[5]H)(OC)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5,6]O[5]H)(OC)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H){3|H<1>,4|C<4>}	H(CC[5]HO)	110.0750	0.000	1	110.0750	0.000	1	109.5661	0.125	7	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5,6])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5,6])(CHHO)(H){1|C<3>,3|H<1>,4|C<4>}	H(CC[5]HO)	109.8235	0.019	2	109.8235	0.000	2	109.5661	0.125	7	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[5]HO)	109.4650	0.034	2	109.4650	0.001	2	109.5661	0.125	7	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>,4|C<4>}	H(CC[5]HO)	109.1555	0.006	2	109.1555	0.000	2	109.5661	0.125	7	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]N[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HO)	109.7360	0.035	2	109.7360	0.001	2	109.7360	0.001	2	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OC)(H)2	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OC)(H)2	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HO)	108.7220	0.000	2	108.7220	0.000	2	109.6128	0.910	62	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]HO)	110.4680	0.059	2	110.1692	0.338	12	109.6128	0.910	62	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	110.1094	0.623	10	110.1692	0.338	12	109.6128	0.910	62	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OC)(H)2	C[5](C[5,5]N[5,6a]C[5,5]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OC)(H)2	C[5](C[5,5]N[5,6a]C[5,5]H)(O[5]C[5])(CHHO)(H){2|C<3>,2|H<1>,2|O<2>}	H(CC[5]HO)	107.1465	1.713	2	107.1465	2.935	2	109.6128	0.910	62	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>}	H(CC[5]HO)	109.9980	0.016	2	109.9980	0.000	2	109.6128	0.910	62	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.4375	0.022	2	109.4375	0.000	2	109.6128	0.910	62	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|C<4>,2|H<1>}	H(CC[5]HO)	110.2225	0.016	2	110.2225	0.000	2	109.6128	0.910	62	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|S<4>,2|C<4>}	H(CC[5]HO)	109.4510	0.018	2	109.4510	0.000	2	109.6128	0.910	62	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	H(CC[5]HO)	108.7270	0.981	8	108.7270	0.962	8	109.6128	0.910	62	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,6])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,6])(CHHO)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(CC[5]HO)	109.8650	0.905	2	109.8650	0.819	2	109.6128	0.910	62	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CC[5]HO)	109.3435	0.015	2	109.5542	0.263	12	109.6128	0.910	62	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.7930	0.227	8	109.5542	0.263	12	109.6128	0.910	62	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	H(CC[5]HO)	108.8095	0.938	2	109.5542	0.263	12	109.6128	0.910	62	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(CC[5]HO)	108.7965	2.299	2	108.7965	5.285	2	109.6128	0.910	62	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5]N[5]2)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OH)(H)2	C[5](C[5,5]C[5]N[5]2)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,1|S<1>,4|H<1>}	H(CC[5]HO)	109.6300	0.016	2	109.6300	0.000	2	109.6128	0.910	62	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OP)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OP)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(CC[5]HO)	110.5042	0.564	4	110.5042	0.318	4	109.6128	0.910	62	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OSi)(H)2	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[5]HO)	110.4335	0.008	2	110.4335	0.000	2	109.6128	0.910	62	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OSi)(H)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>,3|H<1>}	H(CC[5]HO)	109.9995	0.035	2	109.9995	0.001	2	109.6128	0.910	62	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OSi)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	H(CC[5]HO)	110.2965	0.036	2	110.2965	0.001	2	109.6128	0.910	62	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OSi)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	H(CC[5]HO)	109.7420	0.040	2	109.7420	0.002	2	109.6128	0.910	62	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]O[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(CHHO)(H){3|C<4>,4|H<1>}	H(CC[5]HO)	109.0960	0.182	2	109.0960	0.033	2	109.5868	0.837	18	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]O[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H){3|C<4>,4|H<1>}	H(CC[5]HO)	109.5365	0.030	2	109.5365	0.001	2	109.5868	0.837	18	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]O[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.7720	0.035	2	109.7720	0.001	2	109.5868	0.837	18	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]O[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H){1|C<3>,1|N<3>,4|H<1>}	H(CC[5]HO)	110.4020	0.068	2	110.1252	0.104	4	109.5868	0.837	18	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]O[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H){1|S<4>,2|C<4>,3|H<1>}	H(CC[5]HO)	109.8485	0.035	2	110.1252	0.104	4	109.5868	0.837	18	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]O[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(CC[5]HO)	109.1015	3.321	2	109.1015	11.031	2	109.5868	0.837	18	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]O[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	H(CC[5]HO)	109.8470	0.016	2	109.4615	0.199	4	109.5868	0.837	18	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]O[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H){1|C<4>,2|H<1>,2|N<3>,2|O<1>}	H(CC[5]HO)	109.0760	0.033	2	109.4615	0.199	4	109.5868	0.837	18	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(OSi)(H)2	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]O[5]H)(OSi)(H)2	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.6020	0.099	2	109.6020	0.010	2	109.5868	0.837	18	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CHHO)(H){3|C<3>}	H(CC[5]HO)	107.8835	0.599	2	107.8835	0.359	2	108.8293	0.374	10	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H){1|C<3>}	H(CC[5]HO)	109.0652	0.393	6	109.0658	0.110	8	108.8293	0.374	10	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H){1|C<4>}	H(CC[5]HO)	109.0675	0.032	2	109.0658	0.110	8	108.8293	0.374	10	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:F-1:	C-4:	C(C[5]C[5]O[5]F)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F)	H(CC[5]HO)	C(C[5]C[5]O[5]F)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F){1|F<1>,1|N<3>,2|H<1>}	H(CC[5]HO)	109.6570	0.000	1	109.6322	0.001	5	109.6322	0.001	5	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:F-1:	C-4:	C(C[5]C[5]O[5]F)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F)	H(CC[5]HO)	C(C[5]C[5]O[5]F)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.6260	0.029	4	109.6322	0.001	5	109.6322	0.001	5	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.9330	0.263	4	109.9330	0.069	4	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	110.4705	0.009	2	110.1896	0.163	17	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	H(CC[5]HO)	110.1522	0.416	15	110.1896	0.163	17	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5,5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HO)	110.3465	0.054	2	110.3465	0.003	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.9220	0.000	1	110.1330	0.143	5	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HO)	110.1857	0.415	4	110.1330	0.143	5	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H){1|C<4>}	H(CC[5]HO)	110.2355	0.265	4	110.2355	0.070	4	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	H(CC[5]HO)	111.3535	0.186	2	111.3535	0.035	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){1|H<1>,3|C<4>}	H(CC[5]HO)	111.6490	1.868	2	110.5835	2.813	4	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){2|C<4>,2|H<1>}	H(CC[5]HO)	109.5180	0.639	2	110.5835	2.813	4	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHO)(H){2|C<4>,2|H<1>}	H(CC[5]HO)	110.1765	0.147	4	110.1765	0.022	4	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	110.1930	0.000	1	110.0146	0.048	8	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|S<4>,2|H<1>}	H(CC[5]HO)	110.1355	0.051	4	110.0146	0.048	8	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	H(CC[5]HO)	109.6695	0.033	2	110.0146	0.048	8	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>}	H(CC[5]HO)	110.0430	0.000	1	110.0146	0.048	8	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<4>}	H(CC[5]HO)	108.4640	0.038	2	108.4640	0.001	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HO)	110.0280	0.010	2	110.0280	0.000	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.2595	1.062	4	109.8274	0.215	77	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|O<1>}	H(CC[5]HO)	109.5570	0.035	2	109.8274	0.215	77	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	H(CC[5]HO)	110.0730	0.012	4	109.8274	0.215	77	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HO)	110.1532	0.048	4	109.8274	0.215	77	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,3|H<1>}	H(CC[5]HO)	110.3425	0.023	2	109.8274	0.215	77	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	H(CC[5]HO)	110.2545	0.030	2	109.8274	0.215	77	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.6490	0.374	21	109.8274	0.215	77	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	109.8323	0.382	24	109.8274	0.215	77	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>}	H(CC[5]HO)	109.7090	0.013	2	109.8274	0.215	77	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	H(CC[5]HO)	110.2270	0.173	4	109.8274	0.215	77	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Se<4>,1|O<2>,2|H<1>}	H(CC[5]HO)	110.0020	0.023	2	109.8274	0.215	77	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	H(CC[5]HO)	109.9208	0.673	6	109.8274	0.215	77	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>}	H(CC[5]HO)	108.2125	1.696	2	109.4837	1.548	6	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>}	H(CC[5]HO)	110.0630	0.047	2	109.4837	1.548	6	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<2>}	H(CC[5]HO)	110.1755	0.008	2	109.4837	1.548	6	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	H(CC[5]HO)	109.0535	0.012	2	109.0535	0.000	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHHO)(H){2|C<4>}	H(CC[5]HO)	110.0672	0.267	6	110.0672	0.071	6	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){1|O<1>}	H(CC[5]HO)	110.4960	0.057	2	110.4960	0.003	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC[5])(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC[5])(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	H(CC[5]HO)	108.7390	0.400	2	108.7390	0.160	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC[5])(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC[5])(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<4>}	H(CC[5]HO)	108.8740	0.021	2	108.8740	0.000	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC[5a])(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC[5a])(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>}	H(CC[5]HO)	108.8362	0.843	6	108.8362	0.710	6	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<2>,3|H<1>}	H(CC[5]HO)	110.1295	0.073	2	110.1295	0.005	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	H(CC[5]HO)	110.2790	0.559	10	110.2790	0.313	10	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHO)(H){2|C<4>}	H(CC[5]HO)	109.9514	0.691	8	109.9514	0.477	8	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>}	H(CC[5]HO)	110.2474	0.359	14	110.1464	0.216	30	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){2|C<4>}	H(CC[5]HO)	110.0580	0.536	16	110.1464	0.216	30	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(CC[5]HO)	109.2600	0.011	2	109.2600	0.000	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.7040	0.008	2	109.7040	0.000	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	110.0072	1.835	4	109.3386	1.507	14	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(CC[5]HO)	107.7090	0.577	2	109.3386	1.507	14	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	H(CC[5]HO)	110.2500	0.010	2	109.3386	1.507	14	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|N<2>,1|O<2>,2|H<1>}	H(CC[5]HO)	108.9490	0.023	2	109.3386	1.507	14	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	H(CC[5]HO)	109.2240	0.111	4	109.3386	1.507	14	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H){1|H<1>,3|C<4>}	H(CC[5]HO)	108.7460	0.049	2	108.9085	0.108	4	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H){1|O<2>,1|S<4>,2|C<4>}	H(CC[5]HO)	109.0710	0.465	2	108.9085	0.108	4	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.3470	0.007	2	109.3470	0.000	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CHHO)(H){2|C<3>}	H(CC[5]HO)	109.0215	0.019	2	109.0215	0.000	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,2|F<1>}	H(CC[5]HO)	109.3415	0.009	2	109.3415	0.000	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.7550	0.025	2	109.5547	0.054	4	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<4>,1|O<1>}	H(CC[5]HO)	109.3545	0.021	2	109.5547	0.054	4	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<3>}	H(CC[5]HO)	109.5660	0.062	2	109.5660	0.004	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	H(CC[5]HO)	108.1470	2.760	6	109.0966	2.741	18	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.5713	0.188	12	109.0966	2.741	18	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HO)	108.8780	0.007	2	108.8229	2.240	16	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<2>,2|C<4>}	H(CC[5]HO)	109.1325	0.028	2	108.8229	2.240	16	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	107.8428	2.154	6	108.8229	2.240	16	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	109.6813	0.066	6	108.8229	2.240	16	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	H(CC[5]HO)	109.1685	0.033	2	109.1685	0.001	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	109.0204	0.961	8	109.0204	0.924	8	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[4,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[4,5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HO)	109.7728	0.136	4	109.7728	0.019	4	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5,6])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.1630	0.014	2	109.1630	0.000	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Br<1>,1|F<1>,1|H<1>,1|N<3>}	H(CC[5]HO)	109.3463	0.315	3	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Br<1>,1|N<3>,2|H<1>}	H(CC[5]HO)	109.7305	0.008	2	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<2>,1|C<4>,1|O<1>}	H(CC[5]HO)	109.1170	0.041	2	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HO)	109.0925	0.016	2	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(CC[5]HO)	109.7575	0.037	2	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.5675	1.348	52	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	H(CC[5]HO)	109.5206	0.623	21	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>}	H(CC[5]HO)	110.0000	0.020	2	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|O<1>}	H(CC[5]HO)	107.3255	0.917	2	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(CC[5]HO)	109.7182	0.340	4	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	H(CC[5]HO)	109.9417	1.333	15	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>}	H(CC[5]HO)	108.0217	0.981	4	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.4060	0.027	2	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,3|H<1>}	H(CC[5]HO)	109.1076	0.452	9	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	H(CC[5]HO)	109.2934	0.556	22	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,1|O<1>}	H(CC[5]HO)	109.2960	0.011	2	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,2|F<1>}	H(CC[5]HO)	108.6985	0.023	2	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HO)	108.8870	0.000	1	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.2991	2.664	111	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	109.2256	0.646	214	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	H(CC[5]HO)	109.2895	0.584	4	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	H(CC[5]HO)	108.7738	1.393	12	109.2952	2.174	490	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]N[5]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]C[5]N[5]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[5]HO)	109.2920	0.048	2	109.2920	0.002	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5,5])(CHHO)(H){3|C<3>}	H(CC[5]HO)	110.1400	0.046	4	110.1400	0.002	4	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>}	H(CC[5]HO)	107.9855	0.729	2	107.9855	0.531	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	H(CC[5]HO)	109.0917	1.731	14	109.0917	2.997	14	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OP)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OP)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	H(CC[5]HO)	110.3840	0.006	2	109.5886	0.217	27	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OP)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OP)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>}	H(CC[5]HO)	109.4120	0.007	2	109.5886	0.217	27	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OP)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OP)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.4564	0.508	14	109.5886	0.217	27	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OP)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OP)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	109.6566	0.290	9	109.5886	0.217	27	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OP[6])(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OP[6])(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	H(CC[5]HO)	109.3935	0.022	2	109.3935	0.000	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	H(CC[5]HO)	109.9315	0.008	2	109.9315	0.000	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	H(CC[5]HO)	110.2665	0.053	4	110.2665	0.003	4	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	H(CC[5]HO)	110.1277	0.299	4	110.1286	0.262	8	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	H(CC[5]HO)	110.1295	0.722	4	110.1286	0.262	8	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HO)	110.2515	0.005	2	110.2515	0.000	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|C<3>}	H(CC[5]HO)	109.8645	0.045	2	110.0692	0.076	6	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<4>}	H(CC[5]HO)	110.1715	0.290	4	110.0692	0.076	6	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HO)	113.8400	3.220	2	110.7699	3.795	10	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.9430	0.024	2	110.7699	3.795	10	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	109.9147	0.154	4	110.7699	3.795	10	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	H(CC[5]HO)	110.2370	0.021	2	110.7699	3.795	10	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,3|C<4>}	H(CC[5]HO)	109.9480	0.028	2	109.9480	0.001	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	H(CC[5]HO)	110.0645	0.062	2	110.0645	0.004	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	H(CC[5]HO)	110.6855	0.006	2	110.6855	0.000	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OS)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){2|C<4>}	H(CC[5]HO)	110.4005	0.011	2	110.4005	0.000	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5,5]C[5]O)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5,5]C[5]O)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(CC[5]HO)	109.7680	0.000	1	109.7680	0.000	1	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5,5]ClN)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5,5]ClN)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	H(CC[5]HO)	109.6545	0.036	2	109.6545	0.001	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HO)	109.6850	0.054	2	109.6850	0.003	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	H(CC[5]HO)	109.6305	0.008	2	109.6305	0.000	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	110.6555	0.023	2	110.6555	0.001	2	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,2|O<2>}	H(CC[5]HO)	109.1460	1.871	4	109.5190	0.553	26	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Cl<1>,1|H<1>,1|O<1>}	H(CC[5]HO)	109.6095	0.009	2	109.5190	0.553	26	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	110.1565	0.008	2	109.5190	0.553	26	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	109.5210	0.337	18	109.5190	0.553	26	109.4933	1.620	907	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(OC)(H)2	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]S[5]H)(OC)(H)2	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	109.1695	3.260	2	108.5925	5.870	4	109.7339	4.871	14	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(OC)(H)2	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]S[5]H)(OC)(H)2	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	H(CC[5]HO)	108.0155	2.377	2	108.5925	5.870	4	109.7339	4.871	14	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]S[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	H(CC[5]HO)	109.8665	0.074	2	109.8665	0.006	2	109.7339	4.871	14	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(OC[6a])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]S[5]H)(OC[6a])(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(CHHO)(H){1|S<1>}	H(CC[5]HO)	110.4100	0.014	2	110.4100	0.000	2	109.7339	4.871	14	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(OH)(H)2	C[5](C[5]C[5]CO)(S[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]S[5]H)(OH)(H)2	C[5](C[5]C[5]CO)(S[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	108.3190	2.773	2	108.3190	7.691	2	109.7339	4.871	14	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]S[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	113.3555	0.740	2	113.3555	0.548	2	109.7339	4.871	14	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(OH)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]S[5]H)(OH)(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(CHHO)(H){1|N<2>,1|S<4>}	H(CC[5]HO)	109.0010	0.023	2	109.0010	0.001	2	109.7339	4.871	14	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C-4:	C(C[5]Se[5]C[5]H)(OC[6a])(H)2	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]Se[5]C[5]H)(OC[6a])(H)2	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HO)	110.5544	0.338	33	110.5544	0.115	33	110.1702	1.772	42	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C-4:	C(C[5]Se[5]C[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]Se[5]C[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(CC[5]HO)	109.6834	0.227	5	108.7612	5.782	9	110.1702	1.772	42	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C-4:	C(C[5]Se[5]C[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]Se[5]C[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|N<3>,1|O<1>,2|H<1>}	H(CC[5]HO)	107.1470	5.890	2	108.7612	5.782	9	110.1702	1.772	42	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C-4:	C(C[5]Se[5]C[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]Se[5]C[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(Se[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	108.0700	0.969	2	108.7612	5.782	9	110.1702	1.772	42	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:S-2:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(SC[6])(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5,5]O[5]H)(SC[6])(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHS)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HS)	108.6842	0.200	4	108.6842	0.040	4	108.6842	0.040	4	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:S-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(SC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]O[5]H)(SC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HS)	109.2920	0.000	1	108.9970	0.065	3	108.5598	0.273	13	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:S-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(SC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]O[5]H)(SC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H){2|H<1>,2|O<2>}	H(CC[5]HS)	108.8495	0.018	2	108.9970	0.065	3	108.5598	0.273	13	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:S-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(SC)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]O[5]H)(SC)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(CHHS)(H){1|H<1>,1|O<1>}	H(CC[5]HS)	108.7010	0.782	2	108.7010	0.612	2	108.5598	0.273	13	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:S-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(SC)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]O[5]H)(SC)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CHHS)(H){1|O<1>}	H(CC[5]HS)	108.2995	0.011	2	108.2995	0.000	2	108.5598	0.273	13	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:S-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(SC[6a])(H)2	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]O[5]H)(SC[6a])(H)2	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHS)(H){1|H<1>,1|O<2>,3|C<4>}	H(CC[5]HS)	108.7435	0.076	4	108.7435	0.006	4	108.5598	0.273	13	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:1:	4:	C[5]-4:S-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(SH)(H)2	C[5](C[5]C[5]HS)(O[5]C[5])(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]O[5]H)(SH)(H)2	C[5](C[5]C[5]HS)(O[5]C[5])(CHHS)(H){1|N<3>,3|H<1>}	H(CC[5]HS)	107.6555	0.022	2	107.6555	0.000	2	108.5598	0.273	13	109.5056	1.591	1146	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:2:	4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:S-2:	C-4:	C(C[5]C[5]O[5]S)(CN)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(SC)	H(CC[5]CH)	C(C[5]C[5]O[5]S)(CN)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(SC){1|C<3>}	H(CC[5]CH)	109.0730	0.059	2	109.0730	0.004	2	109.0730	0.004	2	109.3510	0.172	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:N-2:	C-4:	C(C[5]C[5]O[5]N)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(NN)	H(CC[5]HO)	C(C[5]C[5]O[5]N)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(NN){1|F<1>,1|N<3>,2|H<1>}	H(CC[5]HO)	109.6105	0.009	2	109.6105	0.000	2	109.6105	0.000	2	109.3510	0.172	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC)	H(CC[5]HO)	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC){1|F<1>,1|N<3>,2|H<1>}	H(CC[5]HO)	109.0190	0.035	3	109.4364	0.328	5	109.3563	0.237	7	109.3510	0.172	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC)	H(CC[5]HO)	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	110.0625	0.047	2	109.4364	0.328	5	109.3563	0.237	7	109.3510	0.172	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OH)	H(CC[5]HO)	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OH){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.1560	0.027	2	109.1560	0.001	2	109.3563	0.237	7	109.3510	0.172	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:3:	4:	C[5]-4:S-2:H-1:H-1:	C[5,5]-4:N[5]-2:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5]C)(SC)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])(CHHS)(COO)	H(CC[5]HS)	C(C[5]C[5,5]N[5]C)(SC)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])(CHHS)(COO){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(CC[5]HS)	109.0005	0.012	2	109.0005	0.000	2	109.0005	0.000	2	109.0005	0.000	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CHHO)	H(CC[5]HO)	C(C[5]C[5,6]O[5]C)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CHHO){3|C<4>,4|H<1>}	H(CC[5]HO)	109.6015	1.282	2	109.6015	1.643	2	109.5783	0.374	13	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5,6]O[5]C)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HO)	109.8942	0.350	5	109.8942	0.123	5	109.5783	0.374	13	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5,6]O[5]C)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5]HO)	109.5222	0.533	4	109.5222	0.285	4	109.5783	0.374	13	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5,6]O[5]C)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	H(CC[5]HO)	108.8775	0.019	2	108.8775	0.000	2	109.5783	0.374	13	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)2	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)2{1|C<3>}	H(CC[5]HO)	109.5810	0.808	2	109.5810	0.652	2	109.5810	0.652	2	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)2	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)2{2|H<1>,2|O<2>}	H(CC[5]HO)	110.1370	0.156	6	110.1370	0.024	6	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(CHHO)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(CHHO){1|O<1>,2|H<1>}	H(CC[5]HO)	110.1750	0.008	2	110.1750	0.000	2	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3){1|C<4>,1|H<1>,2|O<2>}	H(CC[5]HO)	110.0835	0.066	2	110.0835	0.004	2	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|N<3>,1|O<1>}	H(CC[5]HO)	109.8105	0.021	2	109.8105	0.000	2	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){2|C<4>}	H(CC[5]HO)	108.6385	0.037	2	108.6385	0.001	2	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HO)	109.0735	0.423	12	109.0735	0.179	12	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CHHO)2	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CHHO)2{2|C<3>}	H(CC[5]HO)	109.2845	0.244	6	109.2845	0.059	6	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)2	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)2{1|N<3>,3|H<1>}	H(CC[5]HO)	109.2227	0.286	3	109.2227	0.082	3	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CHHO)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CHHO){2|C<4>,2|H<1>}	H(CC[5]HO)	109.3520	0.033	2	109.3520	0.001	2	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HO)	109.4685	0.011	2	109.2867	0.044	4	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|N<4>,1|O<1>}	H(CC[5]HO)	109.1050	0.017	2	109.2867	0.044	4	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(CH3){1|C<3>}	H(CC[5]HO)	108.7800	0.033	2	108.7800	0.001	2	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){1|C<3>,1|O<2>}	H(CC[5]HO)	109.0607	0.050	4	108.8000	0.180	7	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){1|C<4>,1|O<2>}	H(CC[5]HO)	108.4523	0.467	3	108.8000	0.180	7	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CHHO)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CHHO){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HO)	109.2320	0.000	1	109.2320	0.000	1	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.8890	0.000	1	109.8890	0.000	1	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(CHHO)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(CHHO){2|C<4>}	H(CC[5]HO)	109.2315	0.025	2	109.2315	0.001	2	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(CHHO)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(CHHO){2|C<4>}	H(CC[5]HO)	109.3570	0.043	4	109.3570	0.002	4	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OS)(H)2	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)2	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OS)(H)2	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)2{2|H<1>,2|O<2>}	H(CC[5]HO)	110.2878	0.355	6	110.2878	0.126	6	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OS)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)2	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OS)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)2{1|N<3>,3|H<1>}	H(CC[5]HO)	110.2150	0.086	3	110.2150	0.007	3	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OSi)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OSi)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(CH3){1|C<4>,1|O<1>,1|O<2>}	H(CC[5]HO)	109.6525	0.125	2	109.6525	0.016	2	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OSi)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OSi)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.5245	0.032	2	109.5245	0.001	2	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:2:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]O[5]C)(OSi)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HO)	109.3965	0.026	2	109.3965	0.001	2	109.4525	0.321	73	109.4740	0.327	88	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:2:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(OSi)(H)2	C[5](C[5]C[5,5]C[5]O)(C[5]C[5,5]O)(O[5]C[5,5])(CHHO)	H(CC[5]HO)	C(C[5]C[5]2O[5])(OSi)(H)2	C[5](C[5]C[5,5]C[5]O)(C[5]C[5,5]O)(O[5]C[5,5])(CHHO){2|C<4>,4|H<1>,4|O<2>}	H(CC[5]HO)	109.2845	0.057	2	109.2845	0.003	2	109.2845	0.003	2	109.7260	0.261	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:2:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(OO)(H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CHHO)	H(CC[5]HO)	C(C[5]C[6a]C[5]N[5])(OO)(H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CHHO){2|H<1>,6|C<3>}	H(CC[5]HO)	110.1675	0.005	2	110.1675	0.000	2	110.1675	0.000	2	109.7260	0.261	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:3:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(OH)(H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(CHHO)	H(CC[5]HO)	C(C[5]C[6a]C[5]N[5])(OH)(H)2	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(CHHO){1|O<1>,2|H<1>,4|C<3>}	H(CC[5]HO)	109.1945	1.370	2	109.1945	1.876	2	109.1945	1.876	2	109.1945	1.876	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC)(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CCHH)(H){1|C<4>,2|C<3>}	H(CC[5]CH)	109.1620	0.014	2	109.1620	0.000	2	109.1582	0.000	4	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CN)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CN)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|H<1>}	H(CC[5]CH)	109.1545	0.025	2	109.1545	0.001	2	109.1582	0.000	4	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC)(H)2	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC)(H)2	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CH)	109.0650	0.030	2	109.0650	0.001	2	109.0650	0.001	2	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:N-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:Cl-1:	C-4:	C(C[5]C[5]2Cl)(NN)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHHN)(Cl)	H(CC[5]HN)	C(C[5]C[5]2Cl)(NN)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHHN)(Cl){1|C<4>,2|H<1>}	H(CC[5]HN)	110.6015	0.009	2	110.6015	0.000	2	110.6015	0.000	2	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:N-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NS)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NS)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H){2|C<3>}	H(CC[5]HN)	109.7325	0.032	2	109.7325	0.001	2	109.7325	0.001	2	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[3,5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[3,5,5]N[5]H)(OH)(H)2	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[3,5,5]N[5]H)(OH)(H)2	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(CHHO)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(CC[5]HO)	109.7145	0.016	2	109.7145	0.000	2	109.7145	0.000	2	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[3,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[3,5]N[5]H)(OC)(H)2	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[3,5]N[5]H)(OC)(H)2	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CHHO)(H){3|H<1>}	H(CC[5]HO)	109.8978	0.288	4	109.8978	0.083	4	109.8978	0.083	4	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5,6]H)(OC)(H)2	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]C[5,6]H)(OC)(H)2	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHHO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(CC[5]HO)	118.2990	0.768	2	118.2990	0.590	2	118.2990	0.590	2	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(CHHO)(H){2|C<4>,2|H<1>}	H(CC[5]HO)	110.4445	0.438	2	110.4445	0.192	2	110.4445	0.192	2	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5,5]H)(OC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]O[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]N[5,5]H)(OC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]O[5])(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HO)	110.0500	0.093	2	110.0500	0.009	2	110.0500	0.009	2	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(OH)(H)2	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]N[5]H)(OH)(H)2	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CHHO)(H){1|C<3>,1|O<1>,2|C<4>}	H(CC[5]HO)	109.4585	0.022	2	109.4585	0.000	2	109.4585	0.000	2	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(OC)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6,6]C[5]H)(OC)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(CHHO)(H){5|C<4>,5|H<1>}	H(CC[5]HO)	110.0877	0.040	4	110.0877	0.002	4	110.0877	0.002	4	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,5x6]O)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,5x6]O)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HO)	109.6600	0.000	1	109.6600	0.000	1	109.9691	0.165	7	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6,6]O)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6,6]O)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HO)	110.0980	0.013	2	110.0980	0.000	2	109.9691	0.165	7	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]HO)	110.4450	0.023	2	110.4450	0.001	2	109.9691	0.165	7	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CHHO)(H){2|C<4>,2|H<1>}	H(CC[5]HO)	109.5190	0.008	2	109.5190	0.000	2	109.9691	0.165	7	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHHO)(H){1|C<3>,3|H<1>}	H(CC[5]HO)	110.2520	0.000	1	110.2520	0.000	1	109.5669	0.940	40	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHO)(H){3|H<1>}	H(CC[5]HO)	111.5570	2.605	2	111.5570	6.786	2	109.5669	0.940	40	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H){1|C<4>,1|H<1>}	H(CC[5]HO)	110.1843	0.093	7	110.0913	0.041	9	109.5669	0.940	40	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H){2|H<1>}	H(CC[5]HO)	109.7660	0.004	2	110.0913	0.041	9	109.5669	0.940	40	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CHHO)(H){1|C<4>,4|C<3>}	H(CC[5]HO)	109.4635	0.033	2	109.4635	0.001	2	109.5669	0.940	40	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC[6a])(H)2	C[5](C[5]O[5]HH)(C[5]N[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OC[6a])(H)2	C[5](C[5]O[5]HH)(C[5]N[5]C)(CHHO)(H)	H(CC[5]HO)	108.9963	0.020	4	108.9963	0.000	4	109.5669	0.940	40	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]C)(CHHO)(H){1|O<1>,2|C<4>}	H(CC[5]HO)	108.8960	0.004	2	108.8960	0.000	2	109.5669	0.940	40	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(H){4|H<1>}	H(CC[5]HO)	110.2155	0.047	2	110.2155	0.002	2	109.5669	0.940	40	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHO)(H){1|N<3>,2|H<1>}	H(CC[5]HO)	109.4325	0.022	2	109.4325	0.000	2	109.5669	0.940	40	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(CHHO)(H){1|H<1>,3|C<3>}	H(CC[5]HO)	109.3925	0.069	2	109.3925	0.005	2	109.5669	0.940	40	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	109.3603	0.379	4	109.3603	0.144	4	109.5669	0.940	40	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	H(CC[5]HO)	109.3745	0.019	4	109.3745	0.000	4	109.5669	0.940	40	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H){1|C<4>,1|H<1>}	H(CC[5]HO)	108.4780	0.010	2	108.4780	0.000	2	109.5669	0.940	40	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OSi)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OSi)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HO)	108.9525	1.904	4	108.9525	3.625	4	109.5669	0.940	40	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.9775	0.009	2	109.9775	0.000	2	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CHHO)(H){2|C<3>}	H(CC[5]HO)	110.1827	0.700	4	110.1827	0.490	4	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]H)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HO)	110.0670	0.375	4	110.0670	0.141	4	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHO)(H){1|C<3>,2|H<1>}	H(CC[5]HO)	109.1105	1.781	2	109.1105	3.173	2	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){1|C<4>,3|H<1>}	H(CC[5]HO)	110.0415	0.290	4	110.1171	0.074	30	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	H(CC[5]HO)	110.1287	0.273	26	110.1171	0.074	30	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	H(CC[5]HO)	110.0945	1.461	17	110.0945	2.135	17	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H){1|C<4>,3|H<1>}	H(CC[5]HO)	110.7313	0.062	3	110.7313	0.004	3	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.3175	0.042	2	109.3175	0.002	2	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H){1|H<1>,1|N<2>}	H(CC[5]HO)	110.0505	0.035	2	109.9408	0.017	4	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H){3|C<3>}	H(CC[5]HO)	109.8310	0.030	2	109.9408	0.017	4	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]S)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]S)(CHHO)(H){1|C<4>,1|O<1>}	H(CC[5]HO)	109.5625	0.019	2	109.5625	0.000	2	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC[6a])(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC[6a])(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	H(CC[5]HO)	110.2642	0.061	5	110.2642	0.004	5	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[3,5]C[6a]H)(N[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[3,5]C[6a]H)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[5]HO)	109.4335	0.006	2	109.4335	0.000	2	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(CHHO)(H){1|C<3>,1|H<1>,2|C<4>}	H(CC[5]HO)	109.1500	0.013	2	109.1500	0.000	2	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CHHO)(H){1|O<2>,3|H<1>}	H(CC[5]HO)	108.9570	0.017	2	108.9570	0.000	2	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	H(CC[5]HO)	109.7434	0.032	5	109.7547	0.614	15	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){2|C<4>,2|H<1>}	H(CC[5]HO)	109.6860	0.031	2	109.7547	0.614	15	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	H(CC[5]HO)	109.7789	1.107	8	109.7547	0.614	15	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HN)(N[5]C[5]H)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HN)(N[5]C[5]H)(CHHO)(H){1|O<1>,2|H<1>}	H(CC[5]HO)	109.4545	1.339	2	109.4545	1.792	2	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HN)(N[5]C[5]S)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HN)(N[5]C[5]S)(CHHO)(H){1|O<2>,3|H<1>}	H(CC[5]HO)	108.8883	0.078	3	108.8883	0.006	3	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.1920	0.010	2	109.0633	0.586	18	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.2662	0.247	4	109.0633	0.586	18	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,3|H<1>}	H(CC[5]HO)	109.5040	0.065	2	109.0633	0.586	18	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	108.8682	0.990	10	109.0633	0.586	18	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H){1|C<3>,1|O<1>,1|O<2>}	H(CC[5]HO)	109.3820	0.120	4	109.5769	0.472	8	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.7717	0.992	4	109.5769	0.472	8	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CHHO)(H){1|H<1>,5|C<3>}	H(CC[5]HO)	109.4275	0.021	2	109.4275	0.000	2	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]H)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]H)(CHHO)(H){1|O<1>}	H(CC[5]HO)	107.8830	0.515	2	107.8830	0.265	2	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)(H){1|N<2>}	H(CC[5]HO)	109.1190	0.007	2	109.1190	0.000	2	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHHO)(H){1|O<1>}	H(CC[5]HO)	110.0440	0.000	1	110.0440	0.000	1	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CHHO)(H){1|N<2>}	H(CC[5]HO)	108.8252	0.025	4	108.8252	0.001	4	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(ON[6])(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(ON[6])(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H){1|C<4>,3|H<1>}	H(CC[5]HO)	110.9240	0.014	2	110.9240	0.000	2	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OS)(H)2	C[5](C[5]C[5]SiC)(N[5]C[5]C)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OS)(H)2	C[5](C[5]C[5]SiC)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HO)	112.4655	3.258	2	112.4655	10.612	2	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OSi)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OSi)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H){1|Br<1>,1|H<1>,1|O<1>}	H(CC[5]HO)	109.8165	0.039	2	109.8165	0.002	2	109.7686	0.917	144	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:S[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(S[5]C[5]O)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]S[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(S[5]C[5]O)(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	109.9885	0.028	2	109.9885	0.001	2	109.9885	0.001	2	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[5]HH)(C[5]C[5]H)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[5]HH)(C[5]C[5]H)(CHHO)(H){1|C<4>,2|H<1>}	H(CC[5]HO)	109.7705	0.425	4	109.7705	0.181	4	109.7705	0.181	4	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:S-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(SC[6a])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]2H)(SC[6a])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHS)(H){1|C<3>,1|H<1>}	H(CC[5]HS)	108.6423	0.072	3	108.5408	0.022	5	108.5408	0.022	5	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:S-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(SC[6a])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]2H)(SC[6a])(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHS)(H){1|C<4>,1|H<1>}	H(CC[5]HS)	108.3885	0.009	2	108.5408	0.022	5	108.5408	0.022	5	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:S-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(SC)(H)2	C[5](C[5]O[5]CC)(N[5]C[5]Os)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SC)(H)2	C[5](C[5]O[5]CC)(N[5]C[5]Os)(CHHS)(H){1|C<3>}	H(CC[5]HS)	108.9710	0.037	2	108.9710	0.001	2	109.0015	0.025	8	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:S-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(SC[5a])(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SC[5a])(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H){4|H<1>}	H(CC[5]HS)	109.1315	0.080	2	109.1315	0.006	2	109.0015	0.025	8	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:S-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(SC[6a])(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SC[6a])(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H){4|H<1>}	H(CC[5]HS)	108.7755	0.011	2	108.7755	0.000	2	109.0015	0.025	8	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:S-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(SS)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SS)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHS)(H){2|H<1>}	H(CC[5]HS)	109.1280	0.018	2	109.1280	0.000	2	109.0015	0.025	8	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:1:	4:	C[5]-4:Se-2:H-1:H-1:	C[4,5]-4:N[5,5]-3:C-4:H-1:	C-4:	C(C[5]C[4,5]N[5,5]H)(SeC[6a])(H)2	C[5](C[4,5]C[4,5]C[4]H)(N[5,5]C[5,5]O[5])(CSeHH)(H)	H(CC[5]SeH)	C(C[5]C[4,5]N[5,5]H)(SeC[6a])(H)2	C[5](C[4,5]C[4,5]C[4]H)(N[5,5]C[5,5]O[5])(CSeHH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]SeH)	109.6360	0.061	4	109.6360	0.004	4	109.6360	0.004	4	109.7635	1.395	242	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OC)	H(CC[5]HO)	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OC){1|C<4>,3|H<1>}	H(CC[5]HO)	109.8310	0.013	2	109.8310	0.000	2	109.7373	0.212	21	109.7373	0.212	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OH)	H(CC[5]HO)	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OH){1|C<4>,3|H<1>}	H(CC[5]HO)	109.7856	0.220	11	109.7856	0.048	11	109.7373	0.212	21	109.7373	0.212	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]O)(CHHO)(OC)	H(CC[5]HO)	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]O)(CHHO)(OC){1|C<3>,1|H<1>,1|O<2>}	H(CC[5]HO)	109.8665	0.021	2	109.8665	0.000	2	109.7373	0.212	21	109.7373	0.212	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(OH)	H(CC[5]HO)	C(C[5]C[5]2O)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(OH){1|C<4>,1|H<1>}	H(CC[5]HO)	109.5743	0.840	6	109.5743	0.706	6	109.7373	0.212	21	109.7373	0.212	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:3:	4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]2C)(CC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(COO){1|C<3>}	H(CC[5]CH)	109.4650	0.000	1	109.4650	0.000	1	108.7677	0.365	3	109.8090	2.414	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:3:	4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CN)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]2C)(CN)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CCHH)(COO){1|H<1>,2|C<4>}	H(CC[5]CH)	108.4190	0.010	2	108.4190	0.000	2	108.7677	0.365	3	109.8090	2.414	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:3:	4:	C[5]-4:O-2:H-1:H-1:	C[4,5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[4,5]N[5]C)(OC)(H)2	C[5](C[4,5]C[4,5]O[4]C)(N[5]C[5]C)(CHHO)(COO)	H(CC[5]HO)	C(C[5]C[4,5]N[5]C)(OC)(H)2	C[5](C[4,5]C[4,5]O[4]C)(N[5]C[5]C)(CHHO)(COO){1|C<3>,3|H<1>}	H(CC[5]HO)	109.3225	0.943	2	109.3225	0.888	2	109.3225	0.888	2	109.8090	2.414	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:3:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)(COO)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)(COO){1|C<3>,1|O<1>}	H(CC[5]HO)	110.3290	0.000	1	110.3290	0.000	1	110.4909	3.318	7	109.8090	2.414	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:3:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]H)(CHHO)(COO)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]H)(CHHO)(COO){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HO)	112.5205	0.627	2	112.5205	0.393	2	110.4909	3.318	7	109.8090	2.414	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:3:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]H)(CHHO)(COO)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]H)(CHHO)(COO){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HO)	109.1275	2.526	2	109.1275	6.383	2	110.4909	3.318	7	109.8090	2.414	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:3:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(OSi)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]H)(CHHO)(COO)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OSi)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]H)(CHHO)(COO){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HO)	109.9055	0.682	2	109.9055	0.466	2	110.4909	3.318	7	109.8090	2.414	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:3:	4:	C[5]-4:S-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(SC[6a])(H)2	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)(CHHS)(COO)	H(CC[5]HS)	C(C[5]C[5]2C)(SC[6a])(H)2	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)(CHHS)(COO){1|C<2>,4|C<3>}	H(CC[5]HS)	109.1330	0.000	1	109.1330	0.000	1	109.1330	0.000	1	109.8090	2.414	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[3x5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[3x5]C[5]C)(OC)(H)2	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]C)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[3x5]C[5]C)(OC)(H)2	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]C)(CHHO)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(CC[5]HO)	109.3510	0.000	1	109.3510	0.000	1	109.3510	0.000	1	109.4410	0.804	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CHHO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[5]HO)	109.7510	0.102	2	109.7510	0.010	2	109.5541	0.776	33	109.4410	0.804	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(CCHH)(CHHO)	H(CC[5]HO)	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(CCHH)(CHHO){1|H<1>,2|O<2>}	H(CC[5]HO)	109.2085	0.047	2	109.2085	0.002	2	109.5541	0.776	33	109.4410	0.804	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CHHO)2	H(CC[5]HO)	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CHHO)2{2|C<3>}	H(CC[5]HO)	110.3180	0.366	3	110.3180	0.134	3	109.5541	0.776	33	109.4410	0.804	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CHHO)	H(CC[5]HO)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CHHO){1|C<4>,1|H<1>}	H(CC[5]HO)	108.4900	0.007	2	108.4900	0.000	2	109.5541	0.776	33	109.4410	0.804	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(CH3){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	110.1400	4.073	2	110.1400	16.589	2	109.5541	0.776	33	109.4410	0.804	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CHHO)2	H(CC[5]HO)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CHHO)2{2|C<3>}	H(CC[5]HO)	109.5522	0.360	20	109.5522	0.129	20	109.5541	0.776	33	109.4410	0.804	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHO)(CH3){1|C<4>,1|O<1>}	H(CC[5]HO)	109.0535	0.013	2	109.0535	0.000	2	109.5541	0.776	33	109.4410	0.804	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)2	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)2{1|C<4>,3|H<1>}	H(CC[5]HO)	109.7680	0.160	2	109.7680	0.026	2	109.3110	0.862	28	109.4410	0.804	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)2	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)2{1|C<3>,1|H<1>}	H(CC[5]HO)	110.1455	0.343	4	110.1455	0.118	4	109.3110	0.862	28	109.4410	0.804	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)(CHHO)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)(CHHO){1|O<1>,2|H<1>}	H(CC[5]HO)	108.7390	0.016	2	108.7390	0.000	2	109.3110	0.862	28	109.4410	0.804	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CHHO)(CH3){1|O<1>,2|H<1>}	H(CC[5]HO)	108.8815	0.033	2	108.8815	0.001	2	109.3110	0.862	28	109.4410	0.804	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CHHO)(CH3){1|O<1>,2|H<1>}	H(CC[5]HO)	108.7675	0.500	2	108.7675	0.250	2	109.3110	0.862	28	109.4410	0.804	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHO)(CH3){1|C<4>,1|P<4>,2|H<1>}	H(CC[5]HO)	109.0520	0.021	2	109.0520	0.000	2	109.3110	0.862	28	109.4410	0.804	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CHHO)2	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CHHO)2{1|C<3>}	H(CC[5]HO)	109.0989	1.263	8	109.0989	1.596	8	109.3110	0.862	28	109.4410	0.804	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCHH)(CHHO)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCHH)(CHHO){1|O<1>}	H(CC[5]HO)	108.8510	0.008	2	108.8510	0.000	2	109.3110	0.862	28	109.4410	0.804	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CHHO)(CH3){1|O<1>}	H(CC[5]HO)	109.0370	0.013	2	109.0370	0.000	2	109.3110	0.862	28	109.4410	0.804	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:3:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(OSi)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)2	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OSi)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)2{1|C<4>,3|H<1>}	H(CC[5]HO)	110.5720	1.550	2	110.5720	2.402	2	109.3110	0.862	28	109.4410	0.804	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:2:4:	4:	C[5]-4:O-2:H-1:H-1:	C[3]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[3]C[5]O[5])(OC)(H)2	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)	H(CC[5]HO)	C(C[5]C[3]C[5]O[5])(OC)(H)2	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO){2|O<2>,4|H<1>}	H(CC[5]HO)	110.3485	0.018	2	110.3485	0.000	2	110.3485	0.000	2	109.6615	0.220	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:2:4:	4:	C[5]-4:O-2:H-1:H-1:	C[4]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[4]C[5]O[5])(OC)(H)2	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CHHO)	H(CC[5]HO)	C(C[5]C[4]C[5]O[5])(OC)(H)2	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CHHO){1|O<1>,2|C<4>,5|H<1>}	H(CC[5]HO)	109.7142	0.285	6	109.7142	0.081	6	109.7142	0.081	6	109.6615	0.220	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:2:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(OC)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)	H(CC[5]HO)	C(C[5]C[5]2O[5])(OC)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO){2|C<4>,3|O<2>,4|H<1>}	H(CC[5]HO)	108.9315	0.029	2	108.9315	0.001	2	109.4285	0.330	4	109.6615	0.220	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:2:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(OH)(H)2	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]HO)(O[5]C[5,6a])(CHHO)	H(CC[5]HO)	C(C[5]C[5]2O[5])(OH)(H)2	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]HO)(O[5]C[5,6a])(CHHO){1|N<3>,1|O<1>,4|C<3>}	H(CC[5]HO)	109.9255	0.045	2	109.9255	0.002	2	109.4285	0.330	4	109.6615	0.220	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:2:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[6]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]C[6]O[5])(OH)(H)2	C[5](C[5]N[5]HH)(C[6]C[6]2H)(O[5]C[5])(CHHO)	H(CC[5]HO)	C(C[5]C[5]C[6]O[5])(OH)(H)2	C[5](C[5]N[5]HH)(C[6]C[6]2H)(O[5]C[5])(CHHO){1|O<1>,1|S<4>,2|C<4>,4|H<1>}	H(CC[5]HO)	109.2825	0.025	2	109.2825	0.001	2	109.2825	0.001	2	109.6615	0.220	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:3:4:	4:	C[5]-4:O-2:H-1:H-1:	C[4]-4:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[4]C[5]N[5])(OH)(H)2	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHO)	H(CC[5]HO)	C(C[5]C[4]C[5]N[5])(OH)(H)2	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHO){1|C<4>,1|O<1>,4|H<1>}	H(CC[5]HO)	109.1020	0.100	4	109.1020	0.010	4	109.1020	0.010	4	109.5599	0.322	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:3:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[4]-4:N[5]-3:C-4:	C-4:	C(C[5]C[4]C[5]N[5])(OSi)(H)2	C[5](C[5]C[3]O[5]H)(C[4]C[4]2H)(N[5]C[5]H)(CHHO)	H(CC[5]HO)	C(C[5]C[4]C[5]N[5])(OSi)(H)2	C[5](C[5]C[3]O[5]H)(C[4]C[4]2H)(N[5]C[5]H)(CHHO){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(CC[5]HO)	109.6475	0.029	2	109.6475	0.001	2	109.6475	0.001	2	109.5599	0.322	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:3:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:C-4:	C-4:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[3]O)(CHHO)	H(CC[5]HO)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[3]O)(CHHO){1|O<2>,3|H<1>}	H(CC[5]HO)	110.3880	0.030	2	110.3880	0.001	2	110.3880	0.001	2	109.5599	0.322	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(H){2|C<3>}	H(CC[5]CH)	108.7523	0.136	4	108.7523	0.019	4	108.7532	0.011	6	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|C<2>,1|S<4>,2|H<1>}	H(CC[5]CH)	108.7550	0.008	2	108.7550	0.000	2	108.7532	0.011	6	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:N-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NN)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NN)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(CC[5]HN)	110.1700	0.107	2	110.0565	0.021	4	110.0133	0.018	10	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:N-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NN)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NN)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CHHN)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>}	H(CC[5]HN)	109.9430	0.020	2	110.0565	0.021	4	110.0133	0.018	10	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:N-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NN)(H)2	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NN)(H)2	C[5](C[5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHN)(H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(CC[5]HN)	110.0245	0.054	2	110.0245	0.003	2	110.0133	0.018	10	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:N-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NN)(H)2	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NN)(H)2	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[5]HN)	109.8335	0.023	2	109.9645	0.025	4	110.0133	0.018	10	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:N-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NN)(H)2	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NN)(H)2	C[5](C[5]C[5,5]ClH)(C[5]C[5]CH)(CHHN)(H){1|H<1>,1|N<3>,2|C<4>}	H(CC[5]HN)	110.0955	0.083	2	109.9645	0.025	4	110.0133	0.018	10	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:N-2:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHN)(H){1|O<2>,3|H<1>}	H(CC[5]HN)	110.3835	1.027	2	110.3835	1.056	2	110.3835	1.056	2	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(OH)(H)2	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[3,5]C[5]H)(OH)(H)2	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CHHO)(H){1|N<3>,2|H<1>}	H(CC[5]HO)	110.3590	0.413	2	110.3590	0.171	2	110.3590	0.171	2	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[3x5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3x5]C[5]H)(OC)(H)2	C[5](C[3x5]C[5,5]2N[5])(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[3x5]C[5]H)(OC)(H)2	C[5](C[3x5]C[5,5]2N[5])(C[5]C[5]HH)(CHHO)(H){1|C<3>,4|C<4>,4|H<1>}	H(CC[5]HO)	110.2498	0.147	4	110.2498	0.022	4	110.2498	0.022	4	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[3,5]-4:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5,5]H)(OH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[3,5]C[3]2O[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[3,5]C[5,5]H)(OH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[3,5]C[3]2O[5])(CHHO)(H){1|O<2>,2|C<4>,5|H<1>}	H(CC[5]HO)	109.3103	0.623	3	109.3103	0.388	3	109.3103	0.388	3	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(H){2|H<1>,2|O<2>,3|C<4>}	H(CC[5]HO)	110.3725	0.054	2	110.3725	0.003	2	110.1166	1.764	18	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CHHO)(H){2|C<3>,5|H<1>}	H(CC[5]HO)	108.1765	1.729	2	108.1765	2.989	2	110.1166	1.764	18	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HO)	110.1160	0.027	2	110.1160	0.001	2	110.1166	1.764	18	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CHHO)(H){3|C<4>,3|H<1>}	H(CC[5]HO)	110.5417	0.163	3	110.5417	0.027	3	110.1166	1.764	18	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]C[5]H)(OH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HN)(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(CC[5]HO)	110.0695	0.016	2	110.0695	0.000	2	110.1166	1.764	18	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(OH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]C[5]H)(OH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<1>}	H(CC[5]HO)	110.9020	3.302	2	110.5225	5.975	4	110.1166	1.764	18	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(OH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]C[5]H)(OH)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(CC[5]HO)	110.1430	2.539	2	110.5225	5.975	4	110.1166	1.764	18	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(ON[6])(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]C[5]H)(ON[6])(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(CC[5]HO)	110.4800	0.000	1	110.4800	0.000	1	110.1166	1.764	18	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(OS)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,5]C[5]H)(OS)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CHHO)(H){1|C<4>,1|H<1>,1|O<2>}	H(CC[5]HO)	110.2175	0.022	2	110.2175	0.000	2	110.1166	1.764	18	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]HO)	111.2745	0.928	2	111.2745	0.862	2	109.7106	0.535	46	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CHHO)(H){1|C<3>,1|C<4>,5|H<1>}	H(CC[5]HO)	110.0135	0.015	2	110.0135	0.000	2	109.7106	0.535	46	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)(CHHO)(H){1|C<4>,2|H<1>,4|C<3>}	H(CC[5]HO)	109.8680	0.126	3	109.8680	0.016	3	109.7106	0.535	46	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CHHO)(H){2|C<4>,6|H<1>}	H(CC[5]HO)	110.9725	1.399	2	110.9725	1.958	2	109.7106	0.535	46	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5]S[6]2)(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	H(CC[5]HO)	110.1955	0.084	2	110.1955	0.007	2	109.7106	0.535	46	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(CHHO)(H){2|H<1>,3|C<3>}	H(CC[5]HO)	109.6160	0.013	2	109.6160	0.000	2	109.7106	0.535	46	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,4|H<1>}	H(CC[5]HO)	110.3697	0.221	4	110.3697	0.049	4	109.7106	0.535	46	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6]H)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6]H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(CC[5]HO)	108.9555	0.029	2	108.9555	0.001	2	109.7106	0.535	46	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	H(CC[5]HO)	109.1390	0.007	2	109.1390	0.000	2	109.7106	0.535	46	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5]HO)	110.3545	0.009	2	110.3545	0.000	2	109.7106	0.535	46	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(H){3|C<4>,4|H<1>}	H(CC[5]HO)	109.2445	0.036	2	109.2445	0.001	2	109.7106	0.535	46	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(CC[5]HO)	110.0420	0.313	4	110.0420	0.098	4	109.7106	0.535	46	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5]HO)	109.7255	0.019	2	109.7255	0.000	2	109.7106	0.535	46	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	H(CC[5]HO)	109.0700	0.000	1	109.0700	0.000	1	109.7106	0.535	46	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHO)(H){1|C<4>,3|C<3>}	H(CC[5]HO)	109.5195	0.013	2	109.5195	0.000	2	109.7106	0.535	46	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]N[5,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	H(CC[5]HO)	109.1063	0.116	4	109.1063	0.014	4	109.7106	0.535	46	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	H(CC[5]HO)	108.8020	0.007	2	108.8020	0.000	2	109.7106	0.535	46	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]CH)(CHHO)(H){1|C<3>,4|C<4>}	H(CC[5]HO)	108.6785	0.005	2	108.6785	0.000	2	109.7106	0.535	46	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(H){1|C<3>,4|C<4>}	H(CC[5]HO)	109.0970	0.011	2	109.0970	0.000	2	109.7106	0.535	46	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]C[5]H)(OH)(H)2	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H){3|C<4>,7|H<1>}	H(CC[5]HO)	109.3820	0.011	2	109.3820	0.000	2	109.7106	0.535	46	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5,6]N[5]H)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]CC)(CHHO)(H){2|C<4>,5|H<1>}	H(CC[5]HO)	109.5265	1.559	2	109.5265	2.431	2	109.5265	2.431	2	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(CHHO)(H){1|C<4>,1|O<2>}	H(CC[5]HO)	109.0505	0.033	2	109.0505	0.001	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CHHO)(H){1|H<1>,1|N<2>,2|C<3>}	H(CC[5]HO)	110.4015	0.031	4	110.4015	0.001	4	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHO)(H){4|H<1>}	H(CC[5]HO)	109.7525	0.050	2	109.7525	0.003	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHO)(H){1|O<1>}	H(CC[5]HO)	109.4380	0.000	1	109.4380	0.000	1	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	H(CC[5]HO)	107.8945	0.054	2	107.8945	0.003	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HO)	109.4240	0.033	2	109.4240	0.001	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHO)(H){1|C<3>,1|H<1>,1|S<4>}	H(CC[5]HO)	110.6815	0.067	2	110.6815	0.005	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CHHO)(H){1|C<3>,1|C<4>}	H(CC[5]HO)	109.9875	0.235	4	109.9875	0.055	4	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHHO)(H){1|C<4>,1|O<1>}	H(CC[5]HO)	110.1605	0.037	2	110.1605	0.001	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HO)	110.0500	0.020	2	110.0373	0.000	6	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHO)(H){2|C<3>,2|H<1>}	H(CC[5]HO)	110.0310	0.022	4	110.0373	0.000	6	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC[5])(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OC[5])(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CHHO)(H){2|C<3>}	H(CC[5]HO)	110.8580	3.371	2	110.8580	11.367	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CHHO)(H){1|H<1>,4|C<3>}	H(CC[5]HO)	108.9909	0.444	7	108.9909	0.197	7	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CHHO)(H){1|N<2>,1|O<1>,3|C<3>}	H(CC[5]HO)	109.4450	1.734	2	109.4450	3.006	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CHHO)(H){2|C<3>}	H(CC[5]HO)	109.0980	0.025	2	109.0980	0.001	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]HO)	109.0205	0.004	4	109.2125	0.089	6	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HO)	109.5965	0.066	2	109.2125	0.089	6	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]HH)(CHHO)(H){2|C<3>}	H(CC[5]HO)	109.4348	0.691	4	109.4348	0.477	4	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CC)(C[5]O[5]CC)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CC)(C[5]O[5]CC)(CHHO)(H){1|C<4>,1|H<1>}	H(CC[5]HO)	109.5333	0.328	4	109.5333	0.108	4	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	H(CC[5]HO)	108.9500	0.038	2	108.9500	0.001	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H){1|C<4>,1|O<1>}	H(CC[5]HO)	109.3410	0.000	1	109.4874	0.443	5	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(H){1|O<1>,2|C<4>}	H(CC[5]HO)	109.5240	0.763	4	109.4874	0.443	5	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]FF)(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]FF)(C[5]C[5]HH)(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	109.8865	0.023	2	109.8865	0.001	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]FF)(C[5]C[5]HO)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]FF)(C[5]C[5]HO)(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.1926	0.212	5	109.1926	0.045	5	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]FF)(C[5]S[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]FF)(C[5]S[5]HH)(CHHO)(H){1|H<1>,1|N<3>}	H(CC[5]HO)	108.8830	0.017	4	108.8830	0.000	4	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]FH)(C[5]C[5]HO)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]FH)(C[5]C[5]HO)(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.4395	0.012	2	109.4395	0.000	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.1988	0.534	5	109.4553	0.383	7	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	110.0965	0.100	2	109.4553	0.383	7	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(CC[5]HO)	109.6835	0.009	2	109.6835	0.000	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HO)	109.1800	0.213	3	109.1800	0.045	3	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|O<1>,2|C<4>}	H(CC[5]HO)	110.6605	0.050	2	110.6605	0.003	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHHO)(H){1|C<2>,2|H<1>,3|C<3>}	H(CC[5]HO)	109.0228	0.095	4	109.0228	0.009	4	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CHHO)(H){3|H<1>,5|C<3>}	H(CC[5]HO)	110.1660	0.006	2	110.1660	0.000	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(H){2|H<1>,3|C<3>}	H(CC[5]HO)	109.5060	0.047	2	109.5060	0.002	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]O[5]H)(CHHO)(H){1|H<1>,2|C<3>,3|C<4>}	H(CC[5]HO)	104.2885	4.562	2	104.2885	20.808	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]O[5]CH)(CHHO)(H){3|C<3>}	H(CC[5]HO)	109.3640	0.008	2	109.3640	0.000	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]N[6a]C[5]H)(C[5]C[5]FF)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]N[6a]C[5]H)(C[5]C[5]FF)(CHHO)(H){2|C<3>,2|H<1>}	H(CC[5]HO)	109.4315	0.037	2	109.4315	0.001	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(ON[6])(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(ON[6])(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[5]HO)	109.7885	0.042	2	109.7885	0.002	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OS)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OS)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CHHO)(H){1|C<3>,1|C<4>}	H(CC[5]HO)	110.1255	0.015	2	110.1255	0.000	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OS)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OS)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CHHO)(H){1|S<4>,2|C<3>,2|H<1>}	H(CC[5]HO)	110.3770	0.094	4	110.3770	0.009	4	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OSi)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]2H)(OSi)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	108.7570	0.007	2	108.7570	0.000	2	109.4498	1.187	112	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)(CHHO)(H){2|C<4>,2|H<1>}	H(CC[5]HO)	110.1720	0.018	2	110.1720	0.000	2	109.3990	0.315	20	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CC)(CHHO)(H){4|H<1>}	H(CC[5]HO)	109.4747	0.040	3	109.4747	0.002	3	109.3990	0.315	20	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H){4|H<1>}	H(CC[5]HO)	108.6645	0.230	4	108.6645	0.053	4	109.3990	0.315	20	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHO)(H){1|N<3>,3|H<1>}	H(CC[5]HO)	108.9985	0.046	2	108.9985	0.002	2	109.3990	0.315	20	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHO)(H){4|H<1>}	H(CC[5]HO)	109.8368	0.408	5	109.8368	0.167	5	109.3990	0.315	20	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]CH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]CH)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.4025	0.120	2	109.4025	0.014	2	109.3990	0.315	20	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.2840	0.676	2	109.2840	0.457	2	109.3990	0.315	20	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(OH)(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H)	H(CC[5]HO)	C(C[5]N[5,6]C[5]H)(OH)(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]HO)	108.4150	0.731	2	108.4150	0.535	2	108.4150	0.535	2	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](N[5]C[5]RhH)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	H(CC[5]HO)	110.2248	0.047	4	110.2248	0.002	4	109.5953	0.421	15	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OH)(H)2	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	H(CC[5]HO)	109.3665	0.611	11	109.3665	0.373	11	109.5953	0.421	15	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(OH)(H)2	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]P[5]H)(OH)(H)2	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CHHO)(H){2|C<3>,4|H<1>}	H(CC[5]HO)	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:O-2:H-1:H-1:	S[5]-4:S[5]-4:C-4:H-1:	C-4:	C(C[5]S[5]2H)(OC)(H)2	C[5](S[5]C[5]OO)2(CHHO)(H)	H(CC[5]HO)	C(C[5]S[5]2H)(OC)(H)2	C[5](S[5]C[5]OO)2(CHHO)(H){4|H<1>}	H(CC[5]HO)	110.3460	2.376	4	110.3460	5.644	4	110.3460	5.644	4	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:S-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(SC[6a])(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]2H)(SC[6a])(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CHHS)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HS)	109.5925	0.011	2	109.5925	0.000	2	109.4183	0.768	6	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:S-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(SC[6a])(H)2	C[5](C[5]C[5,6]HH)2(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]2H)(SC[6a])(H)2	C[5](C[5]C[5,6]HH)2(CHHS)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]HS)	109.9670	1.461	2	109.9670	2.134	2	109.4183	0.768	6	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:S-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(SC[6a])(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]2H)(SC[6a])(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CHHS)(H){4|H<1>}	H(CC[5]HS)	108.6955	0.022	2	108.6955	0.000	2	109.4183	0.768	6	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:S-2:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(SC[5a])(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SC[5a])(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHS)(H){4|H<1>}	H(CC[5]HS)	108.4680	0.000	1	108.4680	0.000	1	108.4140	0.178	5	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:S-2:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(SC[6])(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SC[6])(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHS)(H){4|H<1>}	H(CC[5]HS)	107.9810	0.007	2	107.9810	0.000	2	108.4140	0.178	5	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:1:	4:	C[5]-4:S-2:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(SC[6a])(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SC[6a])(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CHHS)(H){4|H<1>}	H(CC[5]HS)	108.8200	0.057	2	108.8200	0.003	2	108.4140	0.178	5	109.5656	0.995	258	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CC)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CC)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(OH){4|H<1>}	H(CC[5]CH)	109.1875	0.029	2	109.1875	0.001	2	109.1875	0.001	2	109.5247	0.651	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(OC)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHO)(OH)	H(CC[5]HO)	C(C[5]C[5,5]C[5]O)(OC)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[5]HO)	109.8990	0.202	2	109.8990	0.041	2	110.1350	0.136	6	109.5247	0.651	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(OC)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CHHO)(OH)	H(CC[5]HO)	C(C[5]C[5,5]C[5]O)(OC)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CHHO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[5]HO)	110.4865	0.501	2	110.4865	0.251	2	110.1350	0.136	6	109.5247	0.651	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(OSi)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(CHHO)(OH)	H(CC[5]HO)	C(C[5]C[5,5]C[5]O)(OSi)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)(CHHO)(OH){1|C<4>,2|H<1>,2|O<2>}	H(CC[5]HO)	110.0195	0.013	2	110.0195	0.000	2	110.1350	0.136	6	109.5247	0.651	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(OH)	H(CC[5]HO)	C(C[5]C[5,6]C[5]O)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHO)(OH){2|C<4>,5|H<1>}	H(CC[5]HO)	109.6270	0.030	2	109.6270	0.001	2	109.3215	0.203	13	109.5247	0.651	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OC)	H(CC[5]HO)	C(C[5]C[5,6]C[5]O)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OC){3|C<4>,4|H<1>}	H(CC[5]HO)	109.7960	0.021	2	109.7960	0.000	2	109.3215	0.203	13	109.5247	0.651	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OH)	H(CC[5]HO)	C(C[5]C[5,6]C[5]O)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHHO)(OH){3|C<4>,4|H<1>}	H(CC[5]HO)	109.0072	0.247	4	109.0072	0.061	4	109.3215	0.203	13	109.5247	0.651	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(OH)	H(CC[5]HO)	C(C[5]C[5,6]C[5]O)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHHO)(OH){3|C<4>,4|H<1>}	H(CC[5]HO)	108.8610	0.038	3	108.8610	0.001	3	109.3215	0.203	13	109.5247	0.651	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(OH)	H(CC[5]HO)	C(C[5]C[5,6]C[5]O)(OH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CHHO)(OH){1|C<4>,2|O<2>,4|H<1>}	H(CC[5]HO)	109.8605	0.022	2	109.8605	0.000	2	109.3215	0.203	13	109.5247	0.651	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH)	H(CC[5]HO)	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH){1|C<4>,1|H<1>,2|N<2>}	H(CC[5]HO)	110.0920	0.045	2	110.0888	0.001	4	109.7934	0.473	14	109.5247	0.651	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH)	H(CC[5]HO)	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5,5]CO)(C[5]C[5]HN)(CHHO)(OH){1|C<4>,1|H<1>,2|N<3>}	H(CC[5]HO)	110.0855	0.021	2	110.0888	0.001	4	109.7934	0.473	14	109.5247	0.651	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(OH)	H(CC[5]HO)	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CHHO)(OH){1|H<1>,1|O<1>}	H(CC[5]HO)	109.1642	1.110	4	109.1642	1.232	4	109.7934	0.473	14	109.5247	0.651	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CHHO)(OH)	H(CC[5]HO)	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CHHO)(OH){2|H<1>,2|O<2>}	H(CC[5]HO)	110.1830	0.069	2	110.1830	0.005	2	109.7934	0.473	14	109.5247	0.651	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(OSi)	H(CC[5]HO)	C(C[5]C[5]2O)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHO)(OSi){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HO)	109.7560	0.007	2	109.7560	0.000	2	109.7934	0.473	14	109.5247	0.651	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(OSi)(H)2	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CHHO)(OH)	H(CC[5]HO)	C(C[5]C[5]2O)(OSi)(H)2	C[5](C[5]C[5,5]HO)(C[5]C[5]HH)(CHHO)(OH){1|C<4>,1|N<2>,1|O<1>}	H(CC[5]HO)	110.1090	0.027	2	110.1090	0.001	2	109.7934	0.473	14	109.5247	0.651	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:2:	4:	C[5]-4:S-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(SC[6a])(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHS)(OH)	H(CC[5]HS)	C(C[5]C[5,5]C[5]O)(SC[6a])(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CHHS)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[5]HS)	107.4705	1.312	2	107.4705	1.721	2	107.4705	1.721	2	109.5247	0.651	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:3:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C-4:	C(C[5]C[5,5]C[5]N)(OH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHHO)(NOO)	H(CC[5]HO)	C(C[5]C[5,5]C[5]N)(OH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHHO)(NOO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(CC[5]HO)	108.5853	0.037	4	108.5853	0.001	4	108.7165	0.042	6	109.4091	0.545	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:3:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C-4:	C(C[5]C[5,5]C[5]N)(OH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CHHO)(NOO)	H(CC[5]HO)	C(C[5]C[5,5]C[5]N)(OH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CHHO)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(CC[5]HO)	108.9790	0.016	2	108.9790	0.000	2	108.7165	0.042	6	109.4091	0.545	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:3:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(COO)	H(CC[5]HO)	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CHHO)(COO){1|H<1>,4|C<3>}	H(CC[5]HO)	110.6655	0.052	2	110.6655	0.003	2	110.6655	0.003	2	109.4091	0.545	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:3:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C-4:	C(C[5]C[5]2N)(OH)(H)2	C[5](C[5]C[5]HH)2(CHHO)(NCH)	H(CC[5]HO)	C(C[5]C[5]2N)(OH)(H)2	C[5](C[5]C[5]HH)2(CHHO)(NCH){4|H<1>}	H(CC[5]HO)	109.2278	0.362	4	109.2278	0.131	4	109.4805	0.232	6	109.4091	0.545	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:3:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:N-3:	C-4:	C(C[5]C[5]2N)(OH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CHHO)(NOO)	H(CC[5]HO)	C(C[5]C[5]2N)(OH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CHHO)(NOO){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]HO)	109.9860	0.021	2	109.9860	0.000	2	109.4805	0.232	6	109.4091	0.545	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:3:	4:	C[5]-4:O-2:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(CHHO)(COO)	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(CHHO)(COO){4|H<1>}	H(CC[5]HO)	110.0165	0.043	2	110.0165	0.002	2	110.0165	0.002	2	109.4091	0.545	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHH)(CH3){2|C<3>}	H(CC[5]CH)	108.6820	0.000	1	108.6820	0.000	1	108.6820	0.000	1	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[3,5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[3,5,6]C[5]C)(OH)(H)2	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[3,5,6]C[5]C)(OH)(H)2	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]HH)(CHHO)(CH3){1|H<1>,5|C<4>}	H(CC[5]HO)	109.5670	0.016	2	109.5670	0.000	2	109.5670	0.000	2	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(OH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5,5]C[5,6]C)(OH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(CHHO)(CH3){1|O<2>,4|H<1>,5|C<4>}	H(CC[5]HO)	109.0880	0.010	2	109.0880	0.000	2	109.0880	0.000	2	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(OC)(H)2	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CC)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5,5]C[5]C)(OC)(H)2	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CC)(CHHO)(CH3){1|O<1>,2|C<3>,3|H<1>}	H(CC[5]HO)	109.7535	0.151	2	109.7535	0.023	2	109.4553	0.127	4	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(OSi)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5,5]C[5]C)(OSi)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CHHO)(CH3){1|O<1>,2|C<3>,3|H<1>}	H(CC[5]HO)	109.1570	0.035	2	109.1570	0.001	2	109.4553	0.127	4	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(OH)(H)2	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5,6]C[5]C)(OH)(H)2	C[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]C[5]HH)(CHHO)(CH3){3|H<1>,4|C<4>}	H(CC[5]HO)	109.2210	0.000	1	109.2210	0.000	1	109.1578	0.234	9	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(OH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5,6]C[5]C)(OH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]HH)(CHHO)(CH3){1|O<2>,2|H<1>,4|C<4>}	H(CC[5]HO)	108.9195	0.009	2	108.9195	0.000	2	109.1578	0.234	9	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(OH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5,6]C[5]C)(OH)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CHHO)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CC[5]HO)	108.8477	0.025	4	108.8477	0.001	4	109.1578	0.234	9	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(OH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5,6]C[5]C)(OH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]N[5]HH)(CHHO)(CH3){1|C<3>,4|C<4>}	H(CC[5]HO)	109.9845	0.036	2	109.9845	0.001	2	109.1578	0.234	9	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5]HH)2(CHHO)2	H(CC[5]HO)	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5]HH)2(CHHO)2{2|C<3>}	H(CC[5]HO)	109.7911	0.188	12	109.7911	0.035	12	109.3752	0.269	55	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2	H(CC[5]HO)	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2{2|C<3>}	H(CC[5]HO)	109.8503	0.053	3	109.8503	0.003	3	109.3752	0.269	55	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,6,6]HH)2(CHHO)2	H(CC[5]HO)	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,6,6]HH)2(CHHO)2{2|C<4>}	H(CC[5]HO)	109.7143	0.039	4	109.7143	0.001	4	109.3752	0.269	55	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,6]HH)2(CHHO)2	H(CC[5]HO)	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,6]HH)2(CHHO)2{1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HO)	109.7427	0.243	3	109.7427	0.059	3	109.3752	0.269	55	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(CHHO)(CH3){1|H<1>,3|C<4>}	H(CC[5]HO)	109.7850	0.020	2	109.7850	0.000	2	109.3752	0.269	55	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5,6]HH)2(CHHO)2	H(CC[5]HO)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5,6]HH)2(CHHO)2{2|H<1>,2|S<2>}	H(CC[5]HO)	109.0857	0.421	4	109.0857	0.177	4	109.3752	0.269	55	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5,6a]HH)2(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5,6a]HH)2(CHHO)(CH3){2|C<3>}	H(CC[5]HO)	108.7120	0.004	2	108.7120	0.000	2	109.3752	0.269	55	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[3]HO)(CHHO)	H(CC[5]HO)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[3]HO)(CHHO){1|O<2>,3|H<1>}	H(CC[5]HO)	108.2490	0.000	1	108.2490	0.000	1	109.3752	0.269	55	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(CHHO)	H(CC[5]HO)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(CHHO){1|C<4>,3|H<1>}	H(CC[5]HO)	109.2015	0.050	2	109.2015	0.003	2	109.3752	0.269	55	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]FF)(C[5]O[5]CH)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]FF)(C[5]O[5]CH)(CHHO)(CH3){1|H<1>,1|N<3>}	H(CC[5]HO)	109.1805	0.052	2	109.1805	0.003	2	109.3752	0.269	55	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HH)(CHHO)	H(CC[5]HO)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]HH)(CHHO){1|C<3>,1|C<4>}	H(CC[5]HO)	108.8380	0.070	4	108.8380	0.005	4	109.3752	0.269	55	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]HH)2(CHHO)2	H(CC[5]HO)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]HH)2(CHHO)2{4|H<1>}	H(CC[5]HO)	108.9922	0.160	4	108.9922	0.026	4	109.3752	0.269	55	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OS)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2	H(CC[5]HO)	C(C[5]C[5]2C)(OS)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2{2|C<3>}	H(CC[5]HO)	109.1530	0.091	2	109.1530	0.008	2	109.3752	0.269	55	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OSi)(H)2	C[5](C[5]C[5,5]HH)2(CHHO)2	H(CC[5]HO)	C(C[5]C[5]2C)(OSi)(H)2	C[5](C[5]C[5,5]HH)2(CHHO)2{2|C<3>}	H(CC[5]HO)	109.4320	0.151	4	109.4320	0.023	4	109.3752	0.269	55	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OSi)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2	H(CC[5]HO)	C(C[5]C[5]2C)(OSi)(H)2	C[5](C[5]C[5,5a]HH)2(CHHO)2{2|C<3>}	H(CC[5]HO)	109.0008	1.197	4	109.0008	1.432	4	109.3752	0.269	55	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(OSi)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHO)(CH3)	H(CC[5]HO)	C(C[5]C[5]2C)(OSi)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHO)(CH3){1|B<3>,2|C<3>,3|H<1>}	H(CC[5]HO)	109.3995	0.028	2	109.3995	0.001	2	109.3752	0.269	55	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](N[5]C[5]CoH)(C[5]O[5]HH)(CHHO)2	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](N[5]C[5]CoH)(C[5]O[5]HH)(CHHO)2{1|C<3>,1|H<1>}	H(CC[5]HO)	109.4350	0.000	1	109.4350	0.000	1	109.1227	0.073	3	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:1:1:	4:4:4:4:	4:	C[5]-4:O-2:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](N[5]C[5]ZnH)(C[5]O[5]HH)(CHHO)2	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OH)(H)2	C[5](N[5]C[5]ZnH)(C[5]O[5]HH)(CHHO)2{1|C<3>,1|H<1>}	H(CC[5]HO)	108.9665	0.005	2	108.9665	0.000	2	109.1227	0.073	3	109.3321	0.242	76	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:2:1:	3:3:4:4:	4:	C[5]-4:C-2:C-2:H-1:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C-4:	C-4:	C(C[5]C[5,6a]2C[6])(CN)2(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]2H)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6a]2C[6])(CN)2(H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]2H)(CCCH){2|H<1>,8|C<3>}	H(CC[5]CC)	107.5610	0.000	1	107.5610	0.000	1	107.5610	0.000	1	107.7022	0.082	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:2:1:	3:3:4:4:	4:	C[5]-4:C-2:C-2:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CN)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	H(CC[5]CC)	C(C[5]C[5,6a]C[5]C)(CN)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){2|C<3>,2|H<1>}	H(CC[5]CC)	107.6240	0.271	3	107.6240	0.073	3	107.7375	0.100	4	107.7022	0.082	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:2:1:	3:3:4:4:	4:	C[5]-4:C-2:C-2:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CN)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CHHN)	H(CC[5]CC)	C(C[5]C[5,6a]C[5]C)(CN)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CHHN){2|C<3>,2|H<1>}	H(CC[5]CC)	108.0780	0.000	1	108.0780	0.000	1	107.7375	0.100	4	107.7022	0.082	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:2:1:	3:4:2:4:	4:	C[5]-4:O-2:O-2:H-1:	C[5a]-3:C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[5a]C[5]N[5])(OC)2(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5])(CHOO)	H(CC[5]OO)	C(C[5]C[5a]C[5]N[5])(OC)2(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5])(CHOO){2|C<4>,2|H<1>,3|C<3>}	H(CC[5]OO)	110.0490	0.000	1	110.0490	0.000	1	110.0490	0.000	1	110.0490	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:2:1:	4:2:4:1:	4:	C[5]-4:C-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CO)	109.4050	0.321	2	109.4050	0.103	2	109.4050	0.103	2	109.4050	0.103	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:2:1:	4:2:4:2:	4:	C[5]-4:C-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-2:	C-4:	C(C[5]C[5]O[5]C)(CC)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CC)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CC)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CC){1|C<3>,1|H<1>}	H(CC[5]CO)	106.1010	0.000	1	106.1010	0.000	1	106.1010	0.000	1	106.1010	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:2:1:	4:2:4:3:	4:	C[5]-4:C-2:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(CC)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CNO)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CC)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CNO){2|C<4>}	H(CC[5]CO)	108.0020	0.000	1	108.0020	0.000	1	108.0020	0.000	1	108.0020	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:2:1:	4:3:4:1:	4:	C[5]-4:C-2:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CC)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H){2|C<4>}	H(CC[5]CO)	109.3830	0.255	2	109.3830	0.065	2	109.3830	0.065	2	109.3830	0.065	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O-2:O-2:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(OC)(OO)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CHOO)(H)	H(CC[5]OO)	C(C[5]C[5,6,6]C[5]H)(OC)(OO)(H)	C[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[5]HH)(CHOO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(CC[5]OO)	107.7980	0.000	1	107.7980	0.000	1	107.7980	0.000	1	109.6162	2.327	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)2(H)	C[5](C[5]C[5,6]CS)(C[5]N[5,6]CH)(CHOO)(H)	H(CC[5]OO)	C(C[5]C[5]2H)(OC)2(H)	C[5](C[5]C[5,6]CS)(C[5]N[5,6]CH)(CHOO)(H){1|H<1>,2|C<3>}	H(CC[5]OO)	112.1210	0.000	1	112.1210	0.000	1	109.9798	1.917	5	109.6162	2.327	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)2(H)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHOO)(H)	H(CC[5]OO)	C(C[5]C[5]2H)(OC)2(H)	C[5](C[5]C[5]HS)(C[5]N[5]CH)(CHOO)(H){1|C<4>,1|O<1>}	H(CC[5]OO)	109.3510	0.000	1	109.3510	0.000	1	109.9798	1.917	5	109.6162	2.327	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)2(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CHOO)(H)	H(CC[5]OO)	C(C[5]C[5]2H)(OC)2(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CHOO)(H){1|C<3>,1|O<1>,2|O<2>}	H(CC[5]OO)	109.8780	0.000	1	109.8780	0.000	1	109.9798	1.917	5	109.6162	2.327	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHOO)(H)	H(CC[5]OO)	C(C[5]C[5]2H)(OC)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHOO)(H){1|H<1>,3|C<3>}	H(CC[5]OO)	108.3570	0.000	1	108.3570	0.000	1	109.9798	1.917	5	109.6162	2.327	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:2:1:	4:4:4:1:	4:	C[5]-4:O-2:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(OC)2(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHOO)(H)	H(CC[5]OO)	C(C[5]C[5]2H)(OC)2(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHOO)(H){1|O<1>,2|C<3>}	H(CC[5]OO)	110.1920	0.000	1	110.1920	0.000	1	109.9798	1.917	5	109.6162	2.327	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:2:1:	4:4:4:3:	4:	C[5]-4:O-2:O-2:H-1:	N[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(OH)2(H)	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(CHOO)(COO)	H(CC[5]OO)	C(C[5]C[5]N[5]C)(OH)2(H)	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(CHOO)(COO){4|H<1>}	H(CC[5]OO)	109.9080	0.000	1	109.9080	0.000	1	109.9080	0.000	1	109.9080	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:4:1:	2:3:4:1:	4:	C[5]-4:S-2:C-4:H-1:	O[5]-2:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(SC[6a])(CCHH)(H)	C[5](O[5]C[5,5])(C[5]C[5]O)(CCHS)(H)	H(CC[5]CS)	C(C[5]C[5]O[5]H)(SC[6a])(CCHH)(H)	C[5](O[5]C[5,5])(C[5]C[5]O)(CCHS)(H){2|C<4>,2|H<1>}	H(CC[5]CS)	108.8130	0.000	1	108.8130	0.000	1	108.8130	0.000	1	108.8130	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:4:1:	3:4:4:1:	4:	C[5]-4:O-2:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(ON[6])(CHHO)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(ON[6])(CHHO)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCHO)(H){3|C<3>}	H(CC[5]CO)	106.7440	0.000	1	106.7440	0.000	1	106.7440	0.000	1	106.7440	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O-2:C-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(OC[6])(CCHN)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5]O[5]H)(OC[6])(CCHN)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(CC[5]CO)	108.0610	0.000	1	108.0610	0.000	1	108.0610	0.000	1	107.5843	2.656	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:O-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(CC[5]CO)	107.9867	2.357	3	107.9867	5.555	3	107.9867	5.555	3	107.5843	2.656	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:4:1:	4:2:4:1:	4:	C[5]-4:Se-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(SeC[6a])(CCHH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CSeCH)(H)	H(CC[5]SeC)	C(C[5]C[5]O[5]H)(SeC[6a])(CCHH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CSeCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]SeC)	106.7425	0.199	2	106.7425	0.039	2	106.7425	0.039	2	107.5843	2.656	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:4:1:	4:2:4:4:	4:	C[5]-4:O-2:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(OC[6])(CCCH)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHO)(CH3)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(OC[6])(CCCH)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]CO)	107.3490	0.000	1	107.3490	0.000	1	107.3490	0.000	1	107.3490	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:2:4:1:	4:4:4:1:	4:	C[5]-4:O-2:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(OC[6])(CH3)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(OC[6])(CH3)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<3>,3|H<1>}	H(CC[5]CO)	108.2930	0.209	2	108.2930	0.044	2	108.2930	0.044	2	108.2930	0.044	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	2:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	O[5]-2:O[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]2H)(CCC)(H)2	C[5](O[5]C[5])2(CCHH)(H)	H(CC[5]CH)	C(C[5]O[5]2H)(CCC)(H)2	C[5](O[5]C[5])2(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]CH)	108.3945	0.043	2	108.3945	0.002	2	108.3945	0.002	2	108.3945	0.002	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	2:2:4:4:	4:	C[5]-4:C-3:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(CC[6a]N)(H)2	C[5](O[5]C[5,6a])2(CCHH)(CH3)	H(CC[5]CH)	C(C[5]O[5]2C)(CC[6a]N)(H)2	C[5](O[5]C[5,6a])2(CCHH)(CH3){2|C<3>}	H(CC[5]CH)	108.8895	0.013	2	108.8895	0.000	2	108.8895	0.000	2	108.4379	0.134	10	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	2:2:4:4:	4:	C[5]-4:N-3:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(NCC)(H)2	C[5](O[5]C[5])2(CHHN)2	H(CC[5]HN)	C(C[5]O[5]2C)(NCC)(H)2	C[5](O[5]C[5])2(CHHN)2{4|H<1>}	H(CC[5]HN)	108.3250	0.316	8	108.3250	0.100	8	108.3250	0.100	8	108.4379	0.134	10	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	2:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	O[5]-2:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(COO)(H)2	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(COO)(H)2	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)(H){2|O<2>}	H(CC[5]CH)	108.9518	0.052	4	108.9518	0.003	4	109.0190	0.013	6	109.1557	0.086	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	2:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	O[5]-2:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(COO)(H)2	C[5](O[5]C[5,6])(C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(COO)(H)2	C[5](O[5]C[5,6])(C[5]O[5]O)(CCHH)(H){2|C<4>}	H(CC[5]CH)	109.1535	0.021	2	109.1535	0.000	2	109.0190	0.013	6	109.1557	0.086	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	2:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-2:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]P[5,5])(C[5]O[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]P[5,5])(C[5]O[5]O)(CC[6a]HH)(H){1|Cl<1>,1|N<3>,1|O<2>}	H(CC[6a]C[5]H)	108.8335	0.029	2	108.8335	0.001	2	108.8335	0.001	2	109.1557	0.086	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	2:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	O[5]-2:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[6a]HH)(H){2|O<2>}	H(CC[6a]C[5]H)	109.5220	0.084	4	109.5220	0.007	4	109.5220	0.007	4	109.1557	0.086	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	2:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	O[5]-2:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)2{2|O<2>}	H(CC[5]CH)	108.5085	0.566	8	108.5085	0.320	8	108.5085	0.320	8	108.5085	0.320	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:2:4:	4:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(CCH)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[6a]N[5]O[5])(CCH)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	H(CC[5]CH)	109.2130	0.010	2	109.2130	0.000	2	109.2130	0.000	2	108.3765	3.698	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:2:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:S[5]-2:S[5]-2:C-4:	C-4:	C(C[5]C[6a]S[5]2)(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(S[5]C[5,5])2(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[6a]S[5]2)(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(S[5]C[5,5])2(CC[6a]HH){2|C<3>,2|H<1>,2|S<2>}	H(CC[6a]C[5]H)	106.0305	3.335	2	106.0305	11.125	2	106.0305	11.125	2	108.3765	3.698	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:2:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[6a]O[5]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]C[6a]O[5]2)(N[5]C[5]2)(H)2	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	H(CC[5]N[5]H)	108.9935	0.013	2	108.9935	0.000	2	109.1312	0.025	4	108.3765	3.698	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:2:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[6a]O[5]2)(N[5]C[5]N[5])(H)2	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH)	H(CC[5]N[5]H)	C(C[5]C[6a]O[5]2)(N[5]C[5]N[5])(H)2	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH){1|Cl<1>,2|C<3>,5|H<1>}	H(CC[5]N[5]H)	109.2690	0.007	2	109.2690	0.000	2	109.1312	0.025	4	108.3765	3.698	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CC[6a]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CC[6a]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|P<4>,2|C<3>,2|H<1>}	H(CC[5]CH)	108.8630	0.004	2	108.8630	0.000	2	109.1953	0.130	21	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	H(CC[5]CH)	108.8370	0.000	1	108.8370	0.000	1	109.1953	0.130	21	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[5]CH)	109.2465	0.018	2	109.2030	0.003	4	109.1953	0.130	21	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	H(CC[5]CH)	109.1595	0.012	2	109.2030	0.003	4	109.1953	0.130	21	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]CH)	109.1450	0.014	2	109.2028	0.005	4	109.1953	0.130	21	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	109.2605	0.028	2	109.2028	0.005	4	109.1953	0.130	21	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	109.1635	0.277	8	109.2915	0.238	10	109.1953	0.130	21	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){2|C<3>,3|H<1>}	H(CC[5]CH)	109.8035	0.972	2	109.2915	0.238	10	109.1953	0.130	21	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCC)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCC)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	H(CC[5]CH)	108.8551	0.241	11	108.8551	0.058	11	108.7549	0.161	23	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	H(CC[5]CH)	108.8425	0.030	2	108.8425	0.001	2	108.7549	0.161	23	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCH)(H)2	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCH)(H)2	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(H){1|O<1>,1|S<4>}	H(CC[5]CH)	108.7910	1.447	2	108.7910	2.093	2	108.7549	0.161	23	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCO)(H)2	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCO)(H)2	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	H(CC[5]CH)	108.7495	0.301	4	108.7495	0.091	4	108.7549	0.161	23	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(COO)(H)2	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(COO)(H)2	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	H(CC[5]CH)	108.4227	0.079	4	108.4227	0.006	4	108.7549	0.161	23	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(CNO)(H)2	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]S[5]H)(CNO)(H)2	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H){1|C<3>,1|N<2>}	H(CC[5]CH)	109.4575	0.022	2	109.3692	0.011	4	109.3785	0.007	6	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(CNO)(H)2	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]S[5]H)(CNO)(H)2	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H){1|C<4>,1|N<2>}	H(CC[5]CH)	109.2810	0.037	2	109.3692	0.011	4	109.3785	0.007	6	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(COO)(H)2	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]S[5]H)(COO)(H)2	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H){1|C<4>,1|S<1>}	H(CC[5]CH)	109.3970	0.025	2	109.3970	0.001	2	109.3785	0.007	6	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	N[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]N[5]O[5]H)(CC[5a]O)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5]O[5]H)(CC[5a]O)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H){1|O<1>,2|H<1>}	H(CC[5]CH)	109.2380	0.041	2	109.2380	0.002	2	109.2641	0.044	10	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	N[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]N[5]O[5]H)(CC[6a]O)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5]O[5]H)(CC[6a]O)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H){1|O<1>,2|H<1>}	H(CC[5]CH)	109.1495	0.086	4	109.1495	0.007	4	109.2641	0.044	10	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	N[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]N[5]O[5]H)(COO)(H)2	C[5](N[5]C[5]S)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5]O[5]H)(COO)(H)2	C[5](N[5]C[5]S)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	109.3918	0.289	4	109.3918	0.083	4	109.2641	0.044	10	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[3,5]O)(O[5]C[3,5])(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[3,5]O)(O[5]C[3,5])(CC[6a]HH)(H){1|C<4>,2|H<1>}	H(CC[6a]C[5]H)	106.9165	1.883	2	106.9165	3.546	2	107.9095	2.497	4	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(H){2|C<3>}	H(CC[6a]C[5]H)	108.9025	0.049	2	108.9025	0.002	2	107.9095	2.497	4	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5,6]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(NOO)(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5,6]O[5]H)(NOO)(H)2	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CHHN)(H){2|C<4>,4|H<1>}	H(CC[5]HN)	112.5095	2.494	2	112.5095	6.220	2	112.5095	6.220	2	109.0914	0.813	66	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5,6a]O[5]C)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]C)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(COO){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.8425	0.116	8	108.8425	0.013	8	108.8425	0.013	8	108.8425	0.013	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CCH)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCH)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(CCHH)(CH3){1|C<4>,1|H<1>}	H(CC[5]CH)	108.6915	0.011	2	108.6915	0.000	2	108.6915	0.000	2	108.7262	0.239	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCC)(H)2	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCC)(H)2	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]CH)	108.6655	0.006	2	108.6655	0.000	2	108.7113	0.236	19	108.7262	0.239	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCC)(H)2	C[5](C[5]N[5]O)(O[5]C[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCC)(H)2	C[5](C[5]N[5]O)(O[5]C[5])(CCHH)(CH3){1|C<3>}	H(CC[5]CH)	108.7550	0.013	2	108.7550	0.000	2	108.7113	0.236	19	108.7262	0.239	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCH)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCH)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)2{2|C<3>}	H(CC[5]CH)	108.4320	0.010	2	108.4320	0.000	2	108.7113	0.236	19	108.7262	0.239	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCH)(H)2	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCH)(H)2	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	H(CC[5]CH)	108.7160	0.000	1	108.7160	0.000	1	108.7113	0.236	19	108.7262	0.239	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCH)(H)2	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCH)(H)2	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|O<1>}	H(CC[5]CH)	108.2890	1.119	2	108.2890	1.251	2	108.7113	0.236	19	108.7262	0.239	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCO)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCO)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)(CH3){2|C<3>}	H(CC[5]CH)	109.7905	0.173	2	109.7905	0.030	2	108.7113	0.236	19	108.7262	0.239	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)2{2|C<3>}	H(CC[5]CH)	108.5620	0.014	2	108.5620	0.000	2	108.7113	0.236	19	108.7262	0.239	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[3]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[3]HH)(CCHH){2|C<3>}	H(CC[5]CH)	108.5860	0.068	4	108.5860	0.005	4	108.7113	0.236	19	108.7262	0.239	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH){2|C<3>}	H(CC[5]CH)	108.7330	0.038	2	108.7330	0.001	2	108.7113	0.236	19	108.7262	0.239	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:4:	4:	C[5]-4:C-3:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(CCN)(H)2	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]N[5]O[5]C)(CCN)(H)2	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(CCHH)(CH3){2|C<3>}	H(CC[5]CH)	108.5270	0.025	2	108.5270	0.001	2	108.7885	0.091	4	108.7262	0.239	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:4:	4:	C[5]-4:C-3:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(CC[6a]N)(H)2	C[5](N[5]C[6a]C[5])(O[5]N[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]N[5]O[5]C)(CC[6a]N)(H)2	C[5](N[5]C[6a]C[5])(O[5]N[5])(CCHH)(CH3){3|C<3>}	H(CC[5]CH)	109.0500	0.016	2	109.0500	0.000	2	108.7885	0.091	4	108.7262	0.239	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:4:	4:	C[5]-4:N-3:H-1:H-1:	C[5,5a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5a]O[5]C)(NCC)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CHHN)(CH3)	H(CC[5]HN)	C(C[5]C[5,5a]O[5]C)(NCC)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CHHN)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(CC[5]HN)	109.4820	0.006	2	109.4820	0.000	2	109.4820	0.000	2	108.7262	0.239	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:2:4:4:	4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(NSS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHN)(CH3)	H(CC[5]HN)	C(C[5]C[5,6a]O[5]C)(NSS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHN)(CH3){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HN)	108.0225	0.035	2	108.0225	0.001	2	108.0225	0.001	2	108.7262	0.239	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:2:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(COO)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]O[5])(COO)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,5|C<3>}	H(CC[5]CH)	108.1715	0.012	2	108.1715	0.000	2	108.1715	0.000	2	108.0751	1.453	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:2:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5a]-3:N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5a]N[5]S[5])(CCH)(H)2	C[5](C[5a]N[5a]S[5a])(N[5]C[5,6a]C)(S[5]C[5,6a])(CCHH)	H(CC[5]CH)	C(C[5]C[5a]N[5]S[5])(CCH)(H)2	C[5](C[5a]N[5a]S[5a])(N[5]C[5,6a]C)(S[5]C[5,6a])(CCHH){4|C<3>}	H(CC[5]CH)	108.9500	0.021	2	108.9500	0.000	2	108.9500	0.000	2	108.0751	1.453	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:2:4:	4:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(CCC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]O[5])(CCC)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	H(CC[5]CH)	107.3955	1.641	2	107.3955	2.694	2	107.2377	1.667	6	108.0751	1.453	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:2:4:	4:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(CCH)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]O[5])(CCH)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(CC[5]CH)	106.0200	0.614	2	106.0200	0.377	2	107.2377	1.667	6	108.0751	1.453	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:2:4:	4:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(CC[6a]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]O[5])(CC[6a]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	H(CC[5]CH)	108.2975	0.033	2	108.2975	0.001	2	107.2377	1.667	6	108.0751	1.453	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:2:4:	4:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(CCO)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]O)(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[6a]N[5]O[5])(CCO)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]O)(O[5]C[5])(CCHH){1|C<4>,2|H<1>,3|C<3>}	H(CC[5]CH)	108.7610	0.000	1	108.7610	0.000	1	108.7610	0.000	1	108.0751	1.453	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:2:4:	4:	C[5]-4:C-3:H-1:H-1:	N[5]-3:C[6a]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(CNS)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]C[6a]N[5]O[5])(CNS)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH){2|H<1>,5|C<3>}	H(CC[5]CH)	109.2730	0.025	2	109.2730	0.001	2	109.2730	0.001	2	108.0751	1.453	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]N)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHH){2|C<3>,2|H<1>}	H(CC[5]CH)	108.6970	0.024	2	108.6970	0.001	2	108.6970	0.001	2	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5a]C[5])(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5a]C[5])(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHH){1|N<3>,3|H<1>,4|C<3>}	H(CC[5]CH)	108.0870	0.047	2	108.0870	0.002	2	108.0870	0.002	2	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[6a]C[5])(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	H(CC[5]CH)	108.9665	0.050	2	108.8063	0.078	3	108.6138	0.098	9	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[6a]C[5])(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){1|C<4>,3|H<1>,4|C<3>}	H(CC[5]CH)	108.4860	0.000	1	108.8063	0.078	3	108.6138	0.098	9	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CC[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[6a]C[5])(CC[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	H(CC[5]CH)	108.1315	0.037	2	108.1315	0.001	2	108.6138	0.098	9	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){4|C<3>,4|H<1>}	H(CC[5]CH)	108.7105	0.065	4	108.7105	0.004	4	108.6138	0.098	9	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]N[5])(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[6a]N[5])(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]H)(CCHH){2|O<1>,3|H<1>,4|C<3>}	H(CC[5]CH)	108.5345	0.013	2	108.5345	0.000	2	108.5345	0.000	2	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(CCO)(H)2	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]N[5])(CCO)(H)2	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	H(CC[5]CH)	108.7275	0.006	2	108.7275	0.000	2	108.6942	0.002	6	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(CC[5a]O)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]N[5])(CC[5a]O)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	H(CC[5]CH)	108.6445	0.005	2	108.6445	0.000	2	108.6942	0.002	6	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(CC[6a]O)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]N[5])(CC[6a]O)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	H(CC[5]CH)	108.7105	0.025	2	108.7105	0.001	2	108.6942	0.002	6	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(COO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]2)(COO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)(CCHH){3|C<3>,3|H<1>}	H(CC[5]CH)	109.0250	0.007	2	109.0250	0.000	2	109.0250	0.000	2	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C-3:H-1:H-1:	N[5]-3:N[5]-3:C[5a]-3:C-4:	C-4:	C(C[5]C[5a]N[5]2)(CCH)(H)2	C[5](N[5]C[5,6a]C)2(C[5a]N[5a]2)(CCHH)	H(CC[5]CH)	C(C[5]C[5a]N[5]2)(CCH)(H)2	C[5](N[5]C[5,6a]C)2(C[5a]N[5a]2)(CCHH){1|C<4>,4|C<3>}	H(CC[5]CH)	109.2285	0.037	2	109.2285	0.001	2	109.2285	0.001	2	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C-3:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]N[5]2)(CNS)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CCHH)	H(CC[5]CH)	C(C[5]C[6a]N[5]2)(CNS)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CCHH){2|H<1>,7|C<3>}	H(CC[5]CH)	108.3835	0.483	4	108.3835	0.234	4	108.3835	0.234	4	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a]O[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[5a]HH)	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a]O[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[5a]HH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(CC[5a]C[5]H)	108.4360	0.000	1	108.4360	0.000	1	108.4360	0.000	1	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]C[6]2)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]C[6]2)(CC[6a]HH){1|O<1>,2|H<1>,4|C<3>}	H(CC[6a]C[5]H)	108.6203	0.045	6	108.6203	0.002	6	108.6203	0.002	6	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CC[6a]HH){1|Si<4>,3|H<1>,6|C<3>}	H(CC[6a]C[5]H)	108.2965	0.028	2	108.2965	0.001	2	108.2590	0.005	3	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,7|C<3>}	H(CC[6a]C[5]H)	108.1840	0.000	1	108.1840	0.000	1	108.2590	0.005	3	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[6a]HH){1|N<3>,3|H<1>,4|C<3>}	H(CC[6a]C[5]H)	108.9003	0.073	3	108.9003	0.005	3	108.7472	0.097	4	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]HH){4|C<3>,4|H<1>}	H(CC[6a]C[5]H)	108.2880	0.000	1	108.2880	0.000	1	108.7472	0.097	4	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C[6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C[6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){3|H<1>,5|C<3>}	H(CC[6a]C[5]H)	108.7610	0.000	1	108.7610	0.000	1	108.6546	0.118	8	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]HH){1|C<2>,3|H<1>,4|C<3>}	H(CC[6a]C[5]H)	108.1800	0.041	2	108.1800	0.002	2	108.6546	0.118	8	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(CC[6a]C[5]H)	109.0755	0.042	2	108.8232	0.054	5	108.6546	0.118	8	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	H(CC[6a]C[5]H)	108.6550	0.040	3	108.8232	0.054	5	108.6546	0.118	8	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|N<3>,3|C<3>}	H(CC[6a]C[5]H)	108.7100	0.000	1	108.7100	0.000	1	108.7187	0.001	3	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]C[5]H)	108.7230	0.048	2	108.7230	0.002	2	108.7187	0.001	3	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]C)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]C)(CC[6a]HH){2|C<3>,6|H<1>}	H(CC[6a]C[5]H)	108.2975	0.028	2	108.2975	0.001	2	108.2975	0.001	2	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5a]C[5])(NHS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CHHN)	H(CC[5]HN)	C(C[5]C[5,6a]C[5a]C[5])(NHS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CHHN){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(CC[5]HN)	109.2640	0.269	4	109.2640	0.073	4	109.2640	0.073	4	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(NC[6a]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHN)	H(CC[5]HN)	C(C[5]C[5,6a]C[6a]C[5])(NC[6a]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHN){1|C<4>,3|H<1>,4|C<3>}	H(CC[5]HN)	108.2680	0.092	2	108.2680	0.008	2	108.2680	0.008	2	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(NOO)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CHHN)	H(CC[5]HN)	C(C[5]C[6a]C[5]N[5])(NOO)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CHHN){1|Br<1>,1|H<1>,4|C<3>}	H(CC[5]HN)	109.3990	0.000	1	109.3990	0.000	1	109.3990	0.000	1	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:3:4:	4:	C[5]-4:S-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]2N[5])(SPdC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5,6a]C[5])(CHHS)	H(CC[5]HS)	C(C[5]C[5,6a]2N[5])(SPdC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5,6a]C[5])(CHHS){1|Pd<4>,1|N<3>,2|H<1>,6|C<3>}	H(CC[5]HS)	107.8015	0.022	2	107.8015	0.000	2	107.8015	0.000	2	108.6288	0.146	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:Br-1:H-1:	C[5,6a]-3:C[5]-3:C-4:Br-1:	C-4:	C(C[5]C[5,6a]C[5]Br)(COO)(Br)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(Br)	H(CC[5]BrC)	C(C[5]C[5,6a]C[5]Br)(COO)(Br)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(Br){1|H<1>,3|C<3>}	H(CC[5]BrC)	108.1010	0.000	1	108.1010	0.000	1	108.1010	0.000	1	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,6]H)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6]H)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	H(CC[5]CH)	108.8345	0.022	2	108.8345	0.000	2	108.8345	0.000	2	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C-4:	C(C[5]C[5,6a]C[5]F)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]F)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	109.3325	0.037	2	109.3325	0.001	2	109.3325	0.001	2	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	H(CC[5]CH)	109.2375	0.236	4	109.2375	0.056	4	108.8421	0.225	19	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CCN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){2|C<3>,2|H<1>}	H(CC[5]CH)	109.1170	0.006	2	109.1170	0.000	2	108.8421	0.225	19	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.2962	0.131	5	108.2962	0.017	5	108.8421	0.225	19	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CC[6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC[6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.2360	0.048	2	108.2360	0.002	2	108.8421	0.225	19	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	H(CC[5]CH)	109.3860	0.020	2	109.3860	0.000	2	108.8421	0.225	19	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	109.1635	0.054	2	109.1635	0.003	2	108.8421	0.225	19	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(H){1|H<1>,2|C<3>}	H(CC[5]CH)	108.8815	0.029	2	108.8815	0.001	2	108.8421	0.225	19	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5,5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5,5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	H(CC[5]CH)	109.1382	0.368	5	109.1382	0.135	5	109.1382	0.135	5	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5,6]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]S[6])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5,6]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]S[6])(CCHH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	H(CC[5]CH)	109.2586	0.160	8	109.2586	0.026	8	109.2586	0.026	8	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:N[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5,6a]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5,6a]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(CC[5]CH)	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	H(CC[5]CH)	109.1885	0.026	2	109.1885	0.001	2	109.1814	0.501	24	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.9810	0.040	2	108.9810	0.002	2	109.1814	0.501	24	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	H(CC[5]CH)	108.5510	0.018	2	108.5510	0.000	2	109.1814	0.501	24	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(CC[6a]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(CC[6a]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	H(CC[5]CH)	109.1640	0.000	1	109.1640	0.000	1	109.1814	0.501	24	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(CC[6a]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(CC[6a]N)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(CCHH)(H){1|H<1>,2|O<1>,4|C<3>}	H(CC[5]CH)	109.1857	0.157	3	109.1857	0.025	3	109.1814	0.501	24	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	H(CC[5]CH)	108.9935	0.225	4	108.9935	0.050	4	109.1814	0.501	24	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	109.2477	0.152	4	109.2477	0.023	4	109.1814	0.501	24	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]CH)	111.2885	0.448	2	109.9150	2.582	4	109.1814	0.501	24	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H){2|H<1>,3|C<3>}	H(CC[5]CH)	108.5415	0.018	2	109.9150	2.582	4	109.1814	0.501	24	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|F<1>,1|O<1>,4|C<3>}	H(CC[5]CH)	108.7835	0.035	2	108.7835	0.001	2	109.1814	0.501	24	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:S[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]S[5]H)(CN[5a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]S[5]H)(CN[5a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(S[5]C[5]O)(CCHH)(H){2|C<3>,3|H<1>}	H(CC[5]CH)	110.6790	1.977	2	110.6790	3.909	2	110.6790	3.909	2	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[6a]C[5])2(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[6a]C[5])2(CCHH)(H){1|H<1>,1|O<2>,4|C<3>}	H(CC[5]CH)	108.2820	0.000	1	108.2820	0.000	1	108.6580	0.283	2	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CNO)(H)2	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CNO)(H)2	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H){1|C<4>,1|N<3>}	H(CC[5]CH)	109.0340	0.000	1	109.0340	0.000	1	108.6580	0.283	2	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCH)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCH)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|H<1>}	H(CC[5]CH)	109.5695	0.009	2	109.5695	0.000	2	109.0504	0.259	18	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCH)(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCH)(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>}	H(CC[5]CH)	108.6900	0.000	2	108.6900	0.000	2	109.0504	0.259	18	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCO)(H)2	C[5](C[5]C[5]O)(N[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCO)(H)2	C[5](C[5]C[5]O)(N[5]C[5]O)(CCHH)(H){1|O<1>,2|C<4>}	H(CC[5]CH)	109.6430	0.017	2	109.6430	0.000	2	109.0504	0.259	18	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|H<1>,2|C<3>}	H(CC[5]CH)	109.0365	0.019	2	109.0365	0.000	2	109.0504	0.259	18	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CNO)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CNO)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<1>}	H(CC[5]CH)	108.9745	0.049	2	108.9745	0.002	2	109.0504	0.259	18	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	H(CC[5]CH)	109.3580	0.023	2	109.3580	0.001	2	109.0504	0.259	18	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H){1|H<1>,1|O<1>}	H(CC[5]CH)	108.7870	0.041	2	108.7870	0.002	2	109.0504	0.259	18	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]O[5]O)(N[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]O[5]O)(N[5]C[5]H)(CCHH)(H){1|O<1>}	H(CC[5]CH)	108.6975	0.827	4	108.6975	0.683	4	109.0504	0.259	18	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	N[5,5a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5,5a]H)(COO)(H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5,5a]H)(COO)(H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<2>,4|C<3>}	H(CC[5]CH)	108.6310	0.008	2	108.6310	0.000	2	108.6310	0.000	2	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	N[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,6a]C[5]H)(COO)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5,6a]C[5]H)(COO)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|N<2>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.8950	0.038	2	108.8950	0.001	2	108.8950	0.001	2	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(H){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]CH)	108.3515	0.412	2	108.3515	0.170	2	108.3515	0.170	2	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[5]HH)(H){1|H<1>,3|C<3>}	H(CC[5]2H)	108.9650	4.039	2	108.9650	16.313	2	108.9650	16.313	2	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C-4:	C(C[5]C[5,6a]C[5]F)(C[5a]C[5a]S[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(F)	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5]F)(C[5a]C[5a]S[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(F){2|C<3>,2|H<1>}	H(CC[5a]C[5]H)	108.8965	0.012	2	108.8965	0.000	2	108.8965	0.000	2	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(C[5a]C[5a]S[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(H)	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5]H)(C[5a]C[5a]S[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(H){2|C<3>,2|H<1>}	H(CC[5a]C[5]H)	108.4550	0.008	2	108.4550	0.000	2	108.4550	0.000	2	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]2H)(C[6]C[6]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6]HH)(H)	H(CC[5]C[6]H)	C(C[5]C[5,6a]2H)(C[6]C[6]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6]HH)(H){1|H<1>,5|C<3>}	H(CC[5]C[6]H)	108.9090	0.065	2	108.9090	0.004	2	108.9090	0.004	2	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CC[6a]HH)(H){1|O<1>,4|C<3>}	H(CC[6a]C[5]H)	108.5415	0.046	2	108.5415	0.002	2	108.5415	0.002	2	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]HH)(H){1|H<1>,5|C<3>}	H(CC[6a]C[5]H)	108.9930	0.342	6	108.9930	0.117	6	108.7178	0.332	12	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(H){2|H<1>,4|C<3>}	H(CC[6a]C[5]H)	108.0545	0.277	4	108.3374	0.458	5	108.7178	0.332	12	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(H){2|O<2>,4|C<3>}	H(CC[6a]C[5]H)	109.4690	0.000	1	108.3374	0.458	5	108.7178	0.332	12	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])2(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])2(CC[6a]HH)(H){6|C<3>}	H(CC[6a]C[5]H)	108.9680	0.000	1	108.9680	0.000	1	108.7178	0.332	12	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>}	H(CC[6a]C[5]H)	106.5540	0.023	2	106.5540	0.001	2	106.5540	0.001	2	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.8750	0.010	2	108.8750	0.000	2	108.8108	0.016	10	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[6a]C[5]H)	108.8263	0.026	4	108.8263	0.001	4	108.8108	0.016	10	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[6a]C[5]H)	108.5910	0.021	2	108.5910	0.000	2	108.8108	0.016	10	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]N[6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]N[6a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[6a]C[5]H)	108.9355	0.050	2	108.9355	0.003	2	108.8108	0.016	10	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:Cl-1:	C-4:	C(C[5]C[5]2Cl)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(Cl)	H(CC[6a]C[5]H)	C(C[5]C[5]2Cl)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(Cl){3|C<3>}	H(CC[6a]C[5]H)	108.7630	0.008	2	108.7630	0.000	2	108.7630	0.000	2	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[3,5]O)(N[5]C[3,5]S)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[3,5]O)(N[5]C[3,5]S)(CC[6a]HH)(H){1|C<4>,2|H<1>}	H(CC[6a]C[5]H)	108.6825	0.022	2	108.6825	0.000	2	108.7597	0.088	56	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|O<1>}	H(CC[6a]C[5]H)	108.6430	0.047	2	108.8143	0.040	4	108.7597	0.088	56	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|O<1>}	H(CC[6a]C[5]H)	108.9855	0.037	2	108.8143	0.040	4	108.7597	0.088	56	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|O<1>}	H(CC[6a]C[5]H)	108.7013	0.281	3	108.5977	0.048	6	108.7597	0.088	56	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<4>,1|O<1>}	H(CC[6a]C[5]H)	108.4940	0.097	3	108.5977	0.048	6	108.7597	0.088	56	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,2|C<4>}	H(CC[6a]C[5]H)	108.6200	0.051	4	108.6572	0.065	21	108.7597	0.088	56	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,2|H<1>}	H(CC[6a]C[5]H)	108.4570	0.508	4	108.6572	0.065	21	108.7597	0.088	56	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|H<1>,1|S<1>}	H(CC[6a]C[5]H)	108.8615	0.008	2	108.6572	0.065	21	108.7597	0.088	56	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|H<1>,2|C<4>}	H(CC[6a]C[5]H)	108.7922	0.188	5	108.6572	0.065	21	108.7597	0.088	56	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|O<2>,2|C<4>}	H(CC[6a]C[5]H)	108.6510	0.110	4	108.6572	0.065	21	108.7597	0.088	56	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){3|C<4>}	H(CC[6a]C[5]H)	108.6025	0.028	2	108.6572	0.065	21	108.7597	0.088	56	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5]H)	109.2207	0.118	4	109.1132	0.020	8	108.7597	0.088	56	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<4>,1|S<1>}	H(CC[6a]C[5]H)	108.9800	0.006	2	109.1132	0.020	8	108.7597	0.088	56	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>}	H(CC[6a]C[5]H)	109.0315	0.026	2	109.1132	0.020	8	108.7597	0.088	56	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]H)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]H)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	H(CC[6a]C[5]H)	108.8350	0.013	2	108.8350	0.000	2	108.7597	0.088	56	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>}	H(CC[6a]C[5]H)	108.8940	0.020	2	108.9127	0.001	6	108.7597	0.088	56	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>}	H(CC[6a]C[5]H)	108.9425	0.042	2	108.9127	0.001	6	108.7597	0.088	56	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H){2|H<1>}	H(CC[6a]C[5]H)	108.9015	0.028	2	108.9127	0.001	6	108.7597	0.088	56	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	H(CC[6a]C[5]H)	108.2380	0.511	3	108.2380	0.261	3	108.7597	0.088	56	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	H(CC[6a]C[5]H)	108.9425	0.035	4	108.9425	0.001	4	108.7597	0.088	56	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5,5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(CC[6a]C[5]H)	108.4458	0.655	6	108.4809	0.366	7	108.4809	0.366	7	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5,5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(CC[6a]C[5]H)	108.6910	0.000	1	108.4809	0.366	7	108.4809	0.366	7	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[6a]C[5]H)	108.8690	0.000	1	108.8690	0.000	1	108.8690	0.000	1	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,4|C<4>}	H(CC[6a]C[5]H)	108.0895	0.036	2	108.0895	0.001	2	108.7052	0.068	28	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,1|S<1>,2|C<3>}	H(CC[6a]C[5]H)	108.7510	0.042	3	108.7510	0.002	3	108.7052	0.068	28	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|Cl<1>,1|N<2>,1|O<2>}	H(CC[6a]C[5]H)	108.7245	0.015	2	108.7527	0.047	23	108.7052	0.068	28	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|Cl<1>,1|N<3>,1|O<2>}	H(CC[6a]C[5]H)	108.7719	0.108	9	108.7527	0.047	23	108.7052	0.068	28	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<2>}	H(CC[6a]C[5]H)	108.7798	0.259	8	108.7527	0.047	23	108.7052	0.068	28	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|N<3>,2|O<2>}	H(CC[6a]C[5]H)	108.6697	0.375	4	108.7527	0.047	23	108.7052	0.068	28	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	S[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](S[5]C[5]Pd)(C[5]N[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](S[5]C[5]Pd)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.8175	0.012	2	108.8175	0.000	2	108.8175	0.000	2	108.8457	0.370	220	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C-3:Br-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(Br)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(OH)	H(CC[5]BrC)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(Br)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]BrC)	108.2930	0.000	1	108.2930	0.000	1	108.2930	0.000	1	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]2O)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]2O)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(OH){2|H<1>,4|C<3>}	H(CC[5]CH)	108.4950	0.184	4	108.4950	0.034	4	108.6956	0.080	8	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]2O)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)(OC)	H(CC[5]CH)	C(C[5]C[5,6a]2O)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)(OC){1|H<1>,4|C<3>}	H(CC[5]CH)	108.8962	0.216	4	108.8962	0.046	4	108.6956	0.080	8	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-2:	C-4:	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.6865	0.016	2	108.6865	0.000	2	108.6865	0.000	2	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OC)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OC){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	107.2370	3.220	2	107.2370	10.369	2	108.3154	0.713	41	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	105.8725	0.124	2	105.8725	0.015	2	108.3154	0.713	41	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.5645	0.043	2	108.6215	0.008	4	108.3154	0.713	41	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	H(CC[5]CH)	108.6785	0.098	2	108.6215	0.008	4	108.3154	0.713	41	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	H(CC[5]CH)	108.6077	0.020	4	108.6077	0.000	4	108.3154	0.713	41	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CC[5a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CC[5a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	H(CC[5]CH)	108.5170	0.000	1	108.5170	0.000	1	108.3154	0.713	41	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.5274	0.115	12	108.4396	0.078	26	108.3154	0.713	41	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|H<1>,3|C<3>}	H(CC[5]CH)	108.9280	0.028	2	108.4396	0.078	26	108.3154	0.713	41	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	H(CC[5]CH)	108.2703	0.284	12	108.4396	0.078	26	108.3154	0.713	41	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.9240	0.008	2	108.9240	0.000	2	108.3154	0.713	41	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCH)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCH)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(OH){1|C<4>}	H(CC[5]CH)	108.6270	0.000	1	108.6270	0.000	1	108.9350	0.072	3	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCO)(H)2	C[5](C[5]C[5,6a]O)2(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCO)(H)2	C[5](C[5]C[5,6a]O)2(CCHH)(OH){2|C<3>}	H(CC[5]CH)	109.0890	0.035	2	109.0890	0.001	2	108.9350	0.072	3	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(COO)(H)2	C[5](C[5]C[5]C)(N[5]C[5]H)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]N[5]O)(COO)(H)2	C[5](C[5]C[5]C)(N[5]C[5]H)(CCHH)(OH){1|O<1>,1|O<2>}	H(CC[5]CH)	108.4220	0.187	2	108.4220	0.035	2	108.6192	0.034	6	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(COO)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]N[5]O)(COO)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(OH){2|C<3>}	H(CC[5]CH)	108.7177	0.084	4	108.7177	0.007	4	108.6192	0.034	6	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	N[5]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(COO)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]N[5]O)(COO)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(OH){4|C<3>}	H(CC[5]CH)	108.5655	0.039	2	108.5655	0.002	2	108.5655	0.002	2	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(OH)	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(OH){2|C<3>,2|H<1>}	H(CC[5a]C[5]H)	108.5438	0.416	4	108.5438	0.173	4	108.5438	0.173	4	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:S-2:	C-4:	C(C[5]C[5,6a]C[5]S)(C[5a]C[5a]S[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(SC[6a])	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5]S)(C[5a]C[5a]S[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(SC[6a]){2|C<3>,2|H<1>}	H(CC[5a]C[5]H)	110.3705	0.370	2	110.3705	0.137	2	110.3705	0.137	2	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5a]-3:C[5,6a]-3:C-4:O-2:	C-4:	C(C[5]C[5,5a]C[5,6a]O)(C[6a]C[6a]2)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[5]C[5,5a]C[5,6a]O)(C[6a]C[6a]2)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(OH){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]C[5]H)	108.9453	0.080	4	108.9453	0.006	4	108.9453	0.006	4	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]HH)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(CC[6a]C[5]H)	108.5665	0.037	2	108.5665	0.001	2	108.7114	0.074	20	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)(OH){1|H<1>,1|O<1>,4|C<3>}	H(CC[6a]C[5]H)	108.6582	0.172	4	108.6582	0.029	4	108.7114	0.074	20	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.7765	0.056	2	108.8577	0.010	4	108.7114	0.074	20	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC){2|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.9390	0.011	2	108.8577	0.010	4	108.7114	0.074	20	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.2830	0.031	2	108.4988	0.054	6	108.7114	0.074	20	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH){2|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.6068	0.207	4	108.4988	0.054	6	108.7114	0.074	20	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.7605	0.008	2	109.0095	0.083	4	108.7114	0.074	20	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO){2|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.2585	0.005	2	109.0095	0.083	4	108.7114	0.074	20	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:S-2:	C-4:	C(C[5]C[5,6a]C[5]S)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(SC)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]S)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(SC){1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.7615	0.024	4	108.7615	0.001	4	108.7615	0.001	4	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH){1|Cl<1>,1|O<1>,2|C<3>}	H(CC[6a]C[5]H)	108.7215	0.025	2	108.4169	0.059	10	108.4169	0.059	10	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]N[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH){1|H<1>,1|O<1>,2|C<3>}	H(CC[6a]C[5]H)	108.3407	0.206	8	108.4169	0.059	10	108.4169	0.059	10	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:Se-2:	C-4:	C(C[5]C[5]2Se)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SeC[6a])	H(CC[6a]C[5]H)	C(C[5]C[5]2Se)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SeC[6a]){2|C<4>}	H(CC[6a]C[5]H)	108.9815	0.035	2	108.9815	0.001	2	108.9815	0.001	2	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-2:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]N)(N[5]C[5]O)(CC[6a]HH)(CN)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]N)(N[5]C[5]O)(CC[6a]HH)(CN){2|C<3>}	H(CC[6a]C[5]H)	108.8875	0.045	2	108.8875	0.002	2	108.8875	0.002	2	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]C[5]H)(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]H)(N[5]C[5]H)(CC[6a]HH)(OH){1|C<3>,1|O<1>}	H(CC[6a]C[5]H)	110.0420	0.000	1	110.0420	0.000	1	108.7528	0.543	5	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(OH){1|C<4>,1|S<1>}	H(CC[6a]C[5]H)	108.4305	0.177	4	108.4305	0.031	4	108.7528	0.543	5	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C-4:	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]N[6a])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]HH)(O[5]C[5])	H(CC[6a]C[5]H)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]N[6a])(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]HH)(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	H(CC[6a]C[5]H)	108.6873	0.383	3	108.6873	0.147	3	108.6873	0.147	3	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:O[5]-2:	C-4:	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(CC[6a]HH)(O[5]C[5])	H(CC[6a]C[5]H)	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(CC[6a]HH)(O[5]C[5]){3|C<3>,5|H<1>}	H(CC[6a]C[5]H)	107.9300	0.013	2	107.9300	0.000	2	107.9300	0.000	2	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(NOO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH)	H(CC[5]HN)	C(C[5]C[5,6a]C[5]O)(NOO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH){2|C<3>,2|H<1>}	H(CC[5]HN)	109.8170	0.951	6	109.8170	0.903	6	109.8170	0.903	6	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]N[5]O)(NCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHN)(OH)	H(CC[5]HN)	C(C[5]C[5,6a]N[5]O)(NCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHN)(OH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HN)	107.1410	2.243	4	107.1410	5.030	4	107.1410	5.030	4	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(NOO)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHN)(OH)	H(CC[5]HN)	C(C[5]C[5]2O)(NOO)(H)2	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHN)(OH){1|C<3>,1|C<4>}	H(CC[5]HN)	108.7177	0.254	4	108.7177	0.064	4	108.7177	0.064	4	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:N[5a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(N[5a]C[5a]N[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5a]HH)(OH)	H(CN[5a]C[5]H)	C(C[5]C[5,6a]C[5]O)(N[5a]C[5a]N[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5a]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CN[5a]C[5]H)	108.9135	0.013	2	108.9135	0.000	2	108.9135	0.000	2	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:2:	4:	C[5]-4:N[5a]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:O[5]-2:	C-4:	C(C[5]C[6a]N[5]O[5])(N[5a]C[5a]N[5a])(H)2	C[5](C[6a]C[6a]2)(N[5]N[5]C)(CN[5a]HH)(O[5]C[5])	H(CN[5a]C[5]H)	C(C[5]C[6a]N[5]O[5])(N[5a]C[5a]N[5a])(H)2	C[5](C[6a]C[6a]2)(N[5]N[5]C)(CN[5a]HH)(O[5]C[5]){2|H<1>,3|C<3>}	H(CN[5a]C[5]H)	109.2450	0.000	1	109.2450	0.000	1	109.2450	0.000	1	108.5999	0.621	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(COO){1|H<1>,1|S<4>,2|C<3>}	H(CC[5]CH)	108.9750	0.024	4	108.9750	0.001	4	108.9750	0.001	4	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]N)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	107.6103	1.565	4	107.6103	2.448	4	108.1405	1.049	10	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(CC[6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]N)(CC[6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.4120	0.214	4	108.4120	0.046	4	108.1405	1.049	10	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]N)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.6580	0.008	2	108.6580	0.000	2	108.1405	1.049	10	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)(COO){1|H<1>,2|C<3>,2|O<1>}	H(CC[5]CH)	109.0000	0.030	2	109.0000	0.001	2	108.7405	0.091	4	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]N[5]C)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]C)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(COO){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.4810	0.042	2	108.4810	0.002	2	108.7405	0.091	4	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(COO){2|C<3>,2|H<1>}	H(CC[5]CH)	108.8395	0.023	2	108.8395	0.001	2	108.8395	0.001	2	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5]2N)(CCH)(H)2	C[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)(NCH)	H(CC[5]CH)	C(C[5]C[5]2N)(CCH)(H)2	C[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]CH)	108.6620	0.052	2	108.6620	0.003	2	108.6620	0.003	2	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(COO)(H)2	C[5](C[5]C[5]H)(N[5]C[5]O)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(COO)(H)2	C[5](C[5]C[5]H)(N[5]C[5]O)(CCHH)(COO){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]CH)	108.8850	0.027	2	108.8850	0.001	2	108.8850	0.001	2	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]N[5]2C)(COO)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CCHH)(COO)	H(CC[5]CH)	C(C[5]N[5]2C)(COO)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CCHH)(COO){5|C<3>}	H(CC[5]CH)	108.6085	0.006	2	108.6085	0.000	2	108.9453	0.104	10	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]N[5]2C)(COO)(H)2	C[5](N[5]C[6a]N[5])(N[5]C[5]C)(CCHH)(COO)	H(CC[5]CH)	C(C[5]N[5]2C)(COO)(H)2	C[5](N[5]C[6a]N[5])(N[5]C[5]C)(CCHH)(COO){3|C<3>}	H(CC[5]CH)	109.0295	0.305	8	109.0295	0.093	8	108.9453	0.104	10	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]O[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(NCH)	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]O[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(NCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5a]C[5]H)	109.3120	0.000	1	109.3120	0.000	1	109.3120	0.000	1	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(C[6]C[6]O[6])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]HH)(NHS)	H(CC[5]C[6]H)	C(C[5]C[5,6a]C[5]N)(C[6]C[6]O[6])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]HH)(NHS){1|Br<1>,1|C<4>,2|C<3>}	H(CC[5]C[6]H)	109.1625	0.036	2	109.1625	0.001	2	109.1625	0.001	2	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C[6a]-3:Cl-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:C[5]-3:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(Cl)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]ClH)(C[5]N[5]O)	H(CC[6a]C[5]Cl)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(Cl)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]ClH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	H(CC[6a]C[5]Cl)	106.7840	0.000	1	106.7840	0.000	1	106.7840	0.000	1	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[5]C[5,6]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC[6a]HH)(COO){1|H<1>,1|O<1>,3|C<3>}	H(CC[6a]C[5]H)	108.6370	0.041	2	108.6370	0.002	2	108.6370	0.002	2	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCC)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCC){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	109.3405	0.005	2	109.3405	0.000	2	108.8764	0.200	5	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCO)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCO){1|C<4>,2|C<3>}	H(CC[6a]C[5]H)	108.4525	0.039	2	108.4525	0.002	2	108.8764	0.200	5	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(COO){1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.7960	0.000	1	108.7960	0.000	1	108.8764	0.200	5	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NCN)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NCN){2|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.0385	0.057	4	108.0385	0.003	4	108.4536	0.131	10	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NHH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NHH){2|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7160	0.084	4	108.7160	0.007	4	108.4536	0.131	10	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(NCH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(NCH){1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.7590	0.033	2	108.7590	0.001	2	108.4536	0.131	10	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HH)(COO){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]C[5]H)	108.6355	0.009	2	108.6355	0.000	2	108.6355	0.000	2	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CC[6a]HH)(COO){2|C<3>}	H(CC[6a]C[5]H)	108.9620	0.068	2	108.9620	0.005	2	108.9620	0.005	2	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:N-3:	C-4:	C(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(NCH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(NCH){1|C<4>,1|S<1>}	H(CC[6a]C[5]H)	108.6083	0.057	3	108.6083	0.003	3	108.6083	0.003	3	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(NOO)(H)2	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CHHN)(NCH)	H(CC[5]HN)	C(C[5]C[5,6a]C[5]N)(NOO)(H)2	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CHHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HN)	109.1515	0.023	2	109.1515	0.001	2	109.2003	0.007	3	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:3:	4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(NOO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(NCH)	H(CC[5]HN)	C(C[5]C[5,6a]C[5]N)(NOO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HN)	109.2980	0.000	1	109.2980	0.000	1	109.2003	0.007	3	108.6727	0.358	65	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(CCH)(H)2	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6]C)(CCH)(H)2	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3){1|B<4>,1|H<1>,4|C<3>}	H(CC[5]CH)	108.7660	0.004	2	108.7660	0.000	2	108.7660	0.000	2	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CCC)(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCC)(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CCHH)2{1|H<1>,1|O<2>,2|C<4>}	H(CC[5]CH)	107.6060	0.041	2	107.6060	0.002	2	107.6060	0.002	2	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	H(CC[5]CH)	109.0521	0.490	7	109.0521	0.240	7	108.3638	0.724	13	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	H(CC[5]CH)	107.6940	0.018	2	107.6940	0.000	2	108.3638	0.724	13	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(CCP)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CCP)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	H(CC[5]CH)	107.4943	0.049	4	107.4943	0.002	4	108.3638	0.724	13	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CF3)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CF3){1|H<1>,3|C<3>}	H(CC[5]CH)	109.2745	0.046	4	109.2745	0.002	4	108.6505	0.204	58	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	H(CC[5]CH)	108.6314	0.315	5	108.6314	0.099	5	108.6505	0.204	58	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCF)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCF)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3){1|H<1>,2|C<3>}	H(CC[5]CH)	108.0070	0.011	2	108.0070	0.000	2	108.6505	0.204	58	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CCHO)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CCHO){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.9535	0.030	2	108.9535	0.001	2	108.6505	0.204	58	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2{2|C<3>,2|H<1>}	H(CC[5]CH)	108.9475	0.753	2	108.9475	0.567	2	108.6505	0.204	58	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.4785	0.127	11	108.4785	0.016	11	108.6505	0.204	58	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	H(CC[5]CH)	108.9278	0.074	6	108.9278	0.005	6	108.6505	0.204	58	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	H(CC[5]CH)	109.4895	0.020	4	109.4895	0.000	4	108.6505	0.204	58	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){2|C<3>,2|H<1>}	H(CC[5]CH)	108.7760	0.000	1	108.7760	0.000	1	108.6505	0.204	58	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){2|C<3>,2|H<1>}	H(CC[5]CH)	108.8120	0.000	1	108.8120	0.000	1	108.6505	0.204	58	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2{1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.2190	0.076	4	108.2190	0.006	4	108.6505	0.204	58	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH){2|C<3>,2|H<1>}	H(CC[5]CH)	107.8630	0.045	2	107.8630	0.002	2	108.6505	0.204	58	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CClC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CClC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2{1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.0938	0.048	4	108.0938	0.002	4	108.6505	0.204	58	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.8470	0.000	1	108.8470	0.000	1	108.6505	0.204	58	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CNO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CNO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)(CH3){2|C<3>,2|H<1>}	H(CC[5]CH)	108.8720	0.027	2	108.8720	0.001	2	108.6505	0.204	58	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(CCHH){1|H<1>,3|C<3>}	H(CC[5]CH)	108.5347	0.186	3	108.5347	0.035	3	108.6505	0.204	58	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(CH3){1|H<1>,2|C<3>}	H(CC[5]CH)	108.8730	0.017	2	108.8730	0.000	2	108.6505	0.204	58	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(COS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(COS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){2|C<3>,2|H<1>}	H(CC[5]CH)	108.1820	0.107	2	108.1820	0.012	2	108.6505	0.204	58	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)(CH3){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.4047	0.096	3	108.4047	0.009	3	108.4047	0.009	3	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5,6a]O)2(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5,6a]O)2(CCHH)2{2|C<3>}	H(CC[5]CH)	107.9450	0.778	4	107.9450	0.605	4	108.1231	0.944	17	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]CH)	106.2225	0.153	2	106.2225	0.024	2	108.1231	0.944	17	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]CH)	107.3870	0.252	2	107.3870	0.063	2	108.1231	0.944	17	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCHH){1|C<3>}	H(CC[5]CH)	108.8574	0.324	7	108.8574	0.105	7	108.1231	0.944	17	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CC[5a]O)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CC[5a]O)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2{1|C<4>,1|H<1>,3|C<3>}	H(CC[5]CH)	108.5455	0.006	2	108.5455	0.000	2	108.1231	0.944	17	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CCH)(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCH)(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)2{1|C<4>,1|H<1>}	H(CC[5]CH)	108.0590	0.091	2	108.0590	0.008	2	108.0590	0.008	2	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:C-4:	C-4:	C(C[5]N[5,5]C[6a]C[5])(COO)(H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	H(CC[5]CH)	C(C[5]N[5,5]C[6a]C[5])(COO)(H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(CC[5]CH)	107.8625	0.057	2	107.8625	0.003	2	107.8625	0.003	2	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]N[5,6]C[5]C)(COO)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CCHH)2	H(CC[5]CH)	C(C[5]N[5,6]C[5]C)(COO)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CCHH)2{2|C<3>,2|H<1>}	H(CC[5]CH)	108.1520	0.104	4	108.1520	0.011	4	108.1520	0.011	4	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(CC[6a]N)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]N[5]2C)(CC[6a]N)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CCHH)(CH3){5|C<3>}	H(CC[5]CH)	109.1360	0.061	2	109.1360	0.004	2	109.1360	0.004	2	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[5,6a]C[5]C)(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]2H)	108.8195	0.045	2	108.8195	0.002	2	108.8195	0.002	2	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[5a]C[5a]N[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CCHH)	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[5a]C[5a]N[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5a]C[5]H)	108.1920	0.059	2	108.1920	0.004	2	108.6493	0.128	9	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[5a]N[5a]O[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)2	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[5a]N[5a]O[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)2{1|H<1>,3|C<3>}	H(CC[5a]C[5]H)	108.7800	0.285	7	108.7800	0.081	7	108.6493	0.128	9	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(C[6]C[6]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6]HH)2	H(CC[5]C[6]H)	C(C[5]C[5,6a]2C)(C[6]C[6]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6]HH)2{2|H<1>,4|C<3>}	H(CC[5]C[6]H)	108.0765	0.029	2	108.0765	0.001	2	108.0765	0.001	2	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[6a]HH)(CH3)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5,6]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[6a]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(CC[6a]C[5]H)	108.2540	0.000	1	108.2540	0.000	1	108.2540	0.000	1	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CC[5]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CC[5]HH){2|H<1>,4|C<3>}	H(CC[6a]C[5]H)	108.4780	1.749	4	108.4780	3.060	4	108.4905	1.836	6	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CH3)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CH3){2|H<1>,4|C<3>}	H(CC[6a]C[5]H)	108.5155	0.009	2	108.5155	0.000	2	108.4905	1.836	6	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]C[5]H)	108.2655	0.046	2	108.2655	0.002	2	108.5618	0.050	43	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCCH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.5740	0.018	2	108.5740	0.000	2	108.5618	0.050	43	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.5034	0.149	10	108.5485	0.029	12	108.5618	0.050	43	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH){2|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7740	0.013	2	108.5485	0.029	12	108.5618	0.050	43	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CC[6a]HN)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CC[6a]HN){2|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.6725	0.005	2	108.6725	0.000	2	108.5618	0.050	43	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CH3)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.3520	0.082	3	108.3520	0.007	3	108.5618	0.050	43	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)2	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)2{1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.2843	0.257	4	108.2843	0.066	4	108.5618	0.050	43	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.7857	0.211	10	108.7857	0.045	10	108.5618	0.050	43	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)2	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)2{1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.5065	0.054	2	108.5065	0.003	2	108.5618	0.050	43	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.5813	0.020	6	108.5813	0.000	6	108.5618	0.050	43	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(CH3)	H(CC[5]HN)	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HN)	109.0980	0.020	2	109.0980	0.000	2	109.0603	0.004	3	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(NOO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CHHN)	H(CC[5]HN)	C(C[5]C[5,6a]C[5]C)(NOO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CHHN){2|C<3>,2|H<1>}	H(CC[5]HN)	108.9850	0.000	1	108.9850	0.000	1	109.0603	0.004	3	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(NC[6a]C)(H)2	C[5](C[5]C[5,6a]O)2(CC[6a]HH)(CHHN)	H(CC[5]HN)	C(C[5]C[5]2C)(NC[6a]C)(H)2	C[5](C[5]C[5,6a]O)2(CC[6a]HH)(CHHN){2|C<3>}	H(CC[5]HN)	108.8110	0.049	2	108.8110	0.002	2	108.8913	0.005	6	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:3:4:4:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(NC[6a]C)(H)2	C[5](C[5]C[5]O)2(CC[6a]HH)(CHHN)	H(CC[5]HN)	C(C[5]C[5]2C)(NC[6a]C)(H)2	C[5](C[5]C[5]O)2(CC[6a]HH)(CHHN){4|H<1>}	H(CC[5]HN)	108.9315	0.034	4	108.9315	0.001	4	108.8913	0.005	6	108.5240	0.334	177	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H){1|C<3>,1|S<2>}	H(CC[6a]C[5]H)	109.3110	0.037	2	109.0300	0.106	4	109.0705	0.068	6	108.5376	1.369	28	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H){1|C<4>,1|N<2>}	H(CC[6a]C[5]H)	108.7490	0.027	2	109.0300	0.106	4	109.0705	0.068	6	108.5376	1.369	28	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(H){1|C<3>}	H(CC[6a]C[5]H)	109.1515	0.008	2	109.1515	0.000	2	109.0705	0.068	6	108.5376	1.369	28	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]Au)(CC[6a]HH)(O[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]Au)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,1|O<2>}	H(CC[6a]C[5]H)	108.5585	0.009	2	108.5585	0.000	2	108.3335	0.581	4	108.5376	1.369	28	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,1|O<1>}	H(CC[6a]C[5]H)	108.1085	1.241	2	108.1085	1.540	2	108.3335	0.581	4	108.5376	1.369	28	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:S[5]-2:H-1:	C-4:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]O)(CC[6a]HH)(S[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]O)(CC[6a]HH)(S[5]C[5])(H){1|C<3>,1|N<3>}	H(CC[6a]C[5]H)	108.3795	0.572	4	108.3795	0.327	4	108.0015	2.777	11	108.5376	1.369	28	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:S[5]-2:H-1:	C-4:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H){1|C<4>,1|N<2>}	H(CC[6a]C[5]H)	109.0155	0.018	2	107.7854	4.315	7	108.0015	2.777	11	108.5376	1.369	28	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:S[5]-2:H-1:	C-4:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H){1|C<4>,1|O<1>}	H(CC[6a]C[5]H)	108.9090	0.027	2	107.7854	4.315	7	108.0015	2.777	11	108.5376	1.369	28	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:S[5]-2:H-1:	C-4:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H){1|H<1>,1|O<1>}	H(CC[6a]C[5]H)	106.2163	2.545	3	107.7854	4.315	7	108.0015	2.777	11	108.5376	1.369	28	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C-4:O[5]-2:H-1:	C-4:	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,3|H<1>}	H(CC[6a]C[5]H)	109.0450	0.000	1	109.1676	0.009	5	109.0401	0.054	7	108.5376	1.369	28	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C-4:O[5]-2:H-1:	C-4:	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|H<1>}	H(CC[6a]C[5]H)	109.1983	0.078	4	109.1676	0.009	5	109.0401	0.054	7	108.5376	1.369	28	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C-4:O[5]-2:H-1:	C-4:	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]S)(CC[6a]HH)(O[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]S)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|H<1>}	H(CC[6a]C[5]H)	108.7215	0.054	2	108.7215	0.003	2	109.0401	0.054	7	108.5376	1.369	28	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:C-2:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]O)(CC[6a]HH)(N[5]C[5])(CC)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]O)(CC[6a]HH)(N[5]C[5])(CC){1|C<3>}	H(CC[6a]C[5]H)	108.9470	0.004	2	108.9470	0.000	2	108.9470	0.000	2	108.9252	0.018	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:S-2:	C-4:	C(C[5]C[5]N[5]S)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(SC)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]S)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(SC){1|C<3>}	H(CC[6a]C[5]H)	109.0510	0.000	1	109.0510	0.000	1	109.0510	0.000	1	108.9252	0.018	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:2:	4:	C[5]-4:N[5a]-3:H-1:H-1:	C[6a]-3:C-4:O[5]-2:O[5]-2:	C-4:	C(C[5]C[6a]O[5]2)(N[5a]C[5a]2)(H)2	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	H(CN[5a]C[5]H)	C(C[5]C[6a]O[5]2)(N[5a]C[5a]2)(H)2	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	H(CN[5a]C[5]H)	108.9063	0.148	9	108.9063	0.022	9	108.9063	0.022	9	108.9252	0.018	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C-4:O[5]-2:C-3:	C-4:	C(C[5]C[5,6a]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(O[5]C[5])(COO)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(O[5]C[5])(COO){1|H<1>,1|O<1>,2|C<3>}	H(CC[6a]C[5]H)	108.4880	0.014	2	108.4880	0.000	2	108.4880	0.000	2	109.1958	2.447	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]C[5])(COO)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]C[5])(COO){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5]H)	110.5350	4.407	2	110.5350	19.419	2	109.9660	10.681	3	109.1958	2.447	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5])(COO)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5])(COO){2|H<1>}	H(CC[6a]C[5]H)	108.8280	0.000	1	108.8280	0.000	1	109.9660	10.681	3	109.1958	2.447	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:O[5]-2:C-3:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(COO)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(COO){1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	109.3090	0.000	1	109.3090	0.000	1	109.0885	0.059	4	109.1958	2.447	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:O[5]-2:C-3:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]C[5])(CC[6a]HH)(O[5]C[5])(COO)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]C[5])(CC[6a]HH)(O[5]C[5])(COO){1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]C[5]H)	109.0150	0.236	3	109.0150	0.056	3	109.0885	0.059	4	109.1958	2.447	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:O[5]-2:N-3:	C-4:	C(C[5]C[5]O[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)(O[5]C[5])(NCH)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)(O[5]C[5])(NCH){1|C<3>,1|H<1>,1|S<4>}	H(CC[6a]C[5]H)	108.9630	0.004	2	108.9630	0.000	2	108.9630	0.000	2	109.1958	2.447	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(CCCH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(CCCH){1|C<4>}	H(CC[6a]C[5]H)	108.9650	0.033	4	108.9650	0.001	4	108.9650	0.001	4	109.2100	0.304	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:4:	4:	C[5]-4:N-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(NCS)(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN)	H(CC[5]HN)	C(C[5]C[6a]C[5]N[5])(NCS)(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]HN)	108.4625	0.042	2	108.4625	0.002	2	109.2732	0.640	5	109.2100	0.304	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:4:	4:	C[5]-4:N-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(NHS)(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN)	H(CC[5]HN)	C(C[5]C[6a]C[5]N[5])(NHS)(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]HN)	109.3200	0.000	1	109.8137	0.183	3	109.2732	0.640	5	109.2100	0.304	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:4:	4:	C[5]-4:N-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(NHS)(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN)	H(CC[5]HN)	C(C[5]C[6a]C[5]N[5])(NHS)(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN){2|H<1>,3|C<3>}	H(CC[5]HN)	110.0605	0.021	2	109.8137	0.183	3	109.2732	0.640	5	109.2100	0.304	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:2:4:	4:	C[5]-4:N-3:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(NHS)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CHHN)	H(CC[5]HN)	C(C[5]C[6a]C[5]O[5])(NHS)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CHHN){2|C<3>,2|C<4>,4|H<1>}	H(CC[5]HN)	109.5420	0.027	2	109.5420	0.001	2	109.5420	0.001	2	109.2100	0.304	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:3:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]2)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(CC[5]CH)	108.8254	0.158	7	108.8254	0.025	7	108.8254	0.025	7	108.7884	0.103	23	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:3:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C[6])(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]2H)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C[6])(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]2H)(C[5]N[5]O)(CCHH){1|H<1>,7|C<3>}	H(CC[5]CH)	108.9055	0.042	2	108.9055	0.002	2	108.9055	0.002	2	108.7884	0.103	23	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:3:4:	4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]S[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5]N[5]O)(CC[5a]HH)	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]S[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5]N[5]O)(CC[5a]HH){1|O<1>,2|H<1>,5|C<3>}	H(CC[5a]C[5]H)	108.7005	0.016	2	108.7005	0.000	2	108.7005	0.000	2	108.7884	0.103	23	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|N<2>,2|H<1>,4|C<3>}	H(CC[6a]C[5]H)	108.2175	0.011	2	108.2175	0.000	2	108.7620	0.187	12	108.7884	0.103	23	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]S[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]S[5]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CC[6a]C[5]H)	109.2850	0.030	2	109.2850	0.001	2	108.7620	0.187	12	108.7884	0.103	23	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(CC[6a]C[5]H)	108.2410	0.007	2	108.7565	0.182	6	108.7620	0.187	12	108.7884	0.103	23	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|C<4>,3|H<1>,5|C<3>}	H(CC[6a]C[5]H)	108.8465	0.015	2	108.7565	0.182	6	108.7620	0.187	12	108.7884	0.103	23	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(CC[6a]C[5]H)	109.1820	0.010	2	108.7565	0.182	6	108.7620	0.187	12	108.7884	0.103	23	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(C[5]N[5]O)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	H(CC[6a]C[5]H)	108.8000	0.014	2	108.8000	0.000	2	108.7620	0.187	12	108.7884	0.103	23	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5a]C[5]H)(CCC)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5a]C[5]H)(CCC)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	H(CC[5]CH)	108.2960	0.041	2	108.2960	0.002	2	108.8811	0.117	10	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	H(CC[5]CH)	109.2565	0.013	2	109.2565	0.000	2	108.8811	0.117	10	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	H(CC[5]CH)	108.9875	0.117	4	108.9875	0.014	4	108.8811	0.117	10	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5a]C[5]H)(COO)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HN)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5a]C[5]H)(COO)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HN)(CCHH)(H){2|H<1>,3|C<3>}	H(CC[5]CH)	108.8780	0.017	2	108.8780	0.000	2	108.8811	0.117	10	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]H)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(CCHH)(H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	H(CC[5]CH)	108.8580	0.013	2	108.8580	0.000	2	108.9901	0.180	23	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(CC[5]CH)	109.0284	0.372	14	109.0554	0.126	16	108.9901	0.180	23	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(CC[5]CH)	109.2440	0.031	2	109.0554	0.126	16	108.9901	0.180	23	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(CC[5]CH)	109.3480	0.021	2	109.3303	0.001	3	108.9901	0.180	23	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)(H){1|H<1>,1|O<1>,6|C<3>}	H(CC[5]CH)	109.2950	0.000	1	109.3303	0.001	3	108.9901	0.180	23	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	H(CC[5]CH)	108.0895	0.036	2	108.0895	0.001	2	108.9901	0.180	23	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,6]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCHH)(H){1|O<2>,3|H<1>,4|C<3>}	H(CC[5]CH)	109.3960	0.018	2	109.3960	0.000	2	109.1000	0.263	3	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,6]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CCHH)(H){2|H<1>,2|N<3>,2|O<1>,3|C<3>}	H(CC[5]CH)	108.5080	0.000	1	108.5080	0.000	1	109.1000	0.263	3	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H){2|C<3>,3|H<1>}	H(CC[5]CH)	110.1645	2.469	2	110.1645	6.094	2	108.9389	0.274	45	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H){1|H<1>,2|C<3>}	H(CC[5]CH)	109.1540	0.021	2	109.1540	0.000	2	108.9389	0.274	45	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H){1|H<1>,3|C<3>}	H(CC[5]CH)	108.4835	0.019	2	108.4835	0.000	2	108.9389	0.274	45	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]CH)	108.5252	0.158	4	108.7700	0.100	17	108.9389	0.274	45	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){1|S<2>,2|C<3>,2|H<1>}	H(CC[5]CH)	109.0027	0.196	6	108.7700	0.100	17	108.9389	0.274	45	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	H(CC[5]CH)	108.7104	0.351	7	108.7700	0.100	17	108.9389	0.274	45	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	109.0687	0.128	3	109.0687	0.016	3	108.9389	0.274	45	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]CH)	109.2210	0.000	1	109.2210	0.000	1	108.9389	0.274	45	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(H){2|H<1>,4|C<3>}	H(CC[5]CH)	108.9940	0.004	2	108.9940	0.000	2	108.9389	0.274	45	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H){1|H<1>,1|S<4>,2|C<3>}	H(CC[5]CH)	109.0485	0.057	4	109.0485	0.003	4	108.9389	0.274	45	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H){1|H<1>,2|C<3>}	H(CC[5]CH)	109.0670	0.021	2	109.0670	0.000	2	108.9389	0.274	45	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(H){2|H<1>,3|C<3>}	H(CC[5]CH)	109.1070	0.000	1	109.1070	0.000	1	108.9389	0.274	45	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|H<1>,3|C<3>}	H(CC[5]CH)	108.9460	0.037	2	108.9460	0.001	2	108.9389	0.274	45	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|N<2>,2|C<3>}	H(CC[5]CH)	108.8600	0.014	2	108.8387	0.001	3	108.9389	0.274	45	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.7960	0.000	1	108.8387	0.001	3	108.9389	0.274	45	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(H){1|H<1>,6|C<3>}	H(CC[5]CH)	108.8250	0.032	4	108.8250	0.001	4	108.9389	0.274	45	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCC)(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCC)(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	H(CC[5]CH)	109.6513	0.041	4	109.6513	0.002	4	109.4205	0.059	10	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	H(CC[5]CH)	109.1455	0.019	2	109.1455	0.000	2	109.4205	0.059	10	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CCHH)(H){2|C<3>}	H(CC[5]CH)	109.3272	0.202	4	109.3272	0.041	4	109.4205	0.059	10	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CCH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5,5]C[5]H)(CCH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CCHH)(H){2|C<4>,5|H<1>}	H(CC[5]CH)	108.5475	0.054	2	108.5475	0.003	2	108.4542	0.033	6	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CCN)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5,5]C[5]H)(CCN)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	H(CC[5]CH)	108.2245	0.035	2	108.2245	0.001	2	108.4542	0.033	6	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CCO)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5,5]C[5]H)(CCO)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	H(CC[5]CH)	108.5905	0.008	2	108.5905	0.000	2	108.4542	0.033	6	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(CCC)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5,6]C[5]H)(CCC)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H){1|O<1>,2|C<4>,3|H<1>}	H(CC[5]CH)	108.7415	0.015	2	108.7415	0.000	2	109.0750	0.103	10	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(CC[6a]O)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5,6]C[5]H)(CC[6a]O)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(CC[5]CH)	108.9725	0.316	4	108.9725	0.100	4	109.0750	0.103	10	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(CC[6a]O)(H)2	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5,6]C[5]H)(CC[6a]O)(H)2	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	H(CC[5]CH)	109.4750	0.016	2	109.4750	0.000	2	109.0750	0.103	10	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(CC[6a]O)(H)2	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5,6]C[5]H)(CC[6a]O)(H)2	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|O<1>}	H(CC[5]CH)	109.2135	0.022	2	109.2135	0.000	2	109.0750	0.103	10	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){2|C<3>,4|H<1>}	H(CC[5]CH)	108.9680	0.007	2	108.9680	0.000	2	108.9680	0.000	2	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5a]C[5,5]H)(C[5]C[5]2)(H)2	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]N[5]H)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]N[5,5a]C[5,5]H)(C[5]C[5]2)(H)2	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]N[5]H)(CC[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	H(CC[5]2H)	108.1350	0.000	1	108.1350	0.000	1	108.1350	0.000	1	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(CC[5]2H)	108.3880	0.000	1	108.3880	0.000	1	108.3880	0.000	1	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]H)(C[5a]C[5a]O[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(CC[5a]HH)(H)	H(CC[5a]C[5]H)	C(C[5]C[5,6a]C[5,5]H)(C[5a]C[5a]O[5a])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(CC[5a]HH)(H){1|H<1>,5|C<3>}	H(CC[5a]C[5]H)	109.1705	0.549	2	109.1705	0.302	2	109.1705	0.302	2	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:F-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(F)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]FH)(H)	H(CC[6a]C[5]F)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(F)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6a]FH)(H){1|H<1>,2|C<3>}	H(CC[6a]C[5]F)	108.7920	0.000	1	108.7920	0.000	1	108.7920	0.000	1	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5a]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,5a]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,5|C<3>}	H(CC[6a]C[5]H)	108.8320	0.030	2	108.8320	0.001	2	108.8320	0.001	2	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]HH)(H){1|H<1>,1|S<4>,2|C<3>}	H(CC[6a]C[5]H)	108.7045	0.066	4	108.7045	0.004	4	108.8140	0.031	6	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,3|C<3>}	H(CC[6a]C[5]H)	109.0330	0.020	2	109.0330	0.000	2	108.8140	0.031	6	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)(H){1|O<1>,2|C<4>,3|H<1>}	H(CC[6a]C[5]H)	109.5006	0.161	7	109.5006	0.026	7	109.5006	0.026	7	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<4>}	H(CC[6a]C[5]H)	109.2302	0.110	4	109.2302	0.012	4	109.2302	0.012	4	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[3,5]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[3,5]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|O<1>,2|C<4>}	H(CC[6a]C[5]H)	108.9125	0.168	6	108.9125	0.028	6	108.8644	0.185	22	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[4]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[4]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[6a]C[5]H)	108.7375	0.008	2	108.7375	0.000	2	108.8644	0.185	22	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]H)(C[5]C[5]2H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5,5]H)(C[5]C[5]2H)(CC[6a]HH)(H){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	H(CC[6a]C[5]H)	109.4540	0.000	1	109.4540	0.000	1	108.8644	0.185	22	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|O<1>,1|O<2>}	H(CC[6a]C[5]H)	109.1500	0.052	2	108.6797	0.296	4	108.8644	0.185	22	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<4>}	H(CC[6a]C[5]H)	108.2095	0.015	2	108.6797	0.296	4	108.8644	0.185	22	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|N<2>,1|O<1>}	H(CC[6a]C[5]H)	108.4887	0.206	4	108.4887	0.043	4	108.8644	0.185	22	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]C[5]H)	109.3140	0.011	2	109.3140	0.000	2	108.8644	0.185	22	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|O<1>,2|C<3>}	H(CC[6a]C[5]H)	109.1037	0.730	3	109.1037	0.533	3	108.8644	0.185	22	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(NHS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5,6a]C[5]H)(NHS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H){2|C<3>,3|H<1>}	H(CC[5]HN)	109.7795	0.042	2	109.4915	0.051	6	109.3225	0.134	8	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(NHS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5,6a]C[5]H)(NHS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHHN)(H){2|H<1>,3|C<3>}	H(CC[5]HN)	109.3475	0.034	4	109.4915	0.051	6	109.3225	0.134	8	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(NOO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5,6a]C[5]H)(NOO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CHHN)(H){1|H<1>,2|C<3>}	H(CC[5]HN)	108.8155	0.011	2	108.8155	0.000	2	109.3225	0.134	8	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:1:	4:	C[5]-4:N-3:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(NCH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CHHN)(H)	H(CC[5]HN)	C(C[5]N[5,5]C[5]H)(NCH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CHHN)(H){1|N<2>,1|N<3>,3|H<1>}	H(CC[5]HN)	108.6148	0.133	4	108.6148	0.018	4	108.6148	0.018	4	108.9846	0.205	167	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCHH)(OH){2|C<3>,3|H<1>}	H(CC[5]CH)	107.5725	0.896	2	107.5725	0.803	2	107.5725	0.803	2	108.4284	0.461	25	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:2:	4:	C[5]-4:C[6a]-3:Br-1:H-1:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C-4:	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(Br)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])	H(CC[6a]C[5]Br)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(Br)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	H(CC[6a]C[5]Br)	107.1130	0.000	1	107.0470	0.112	3	107.0470	0.112	3	108.4284	0.461	25	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:2:	4:	C[5]-4:C[6a]-3:Br-1:H-1:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C-4:	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(Br)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])	H(CC[6a]C[5]Br)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(Br)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	H(CC[6a]C[5]Br)	107.0140	0.467	2	107.0470	0.112	3	107.0470	0.112	3	108.4284	0.461	25	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:C-4:N[5]-2:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)(CC[6a]HO)(N[5]C[5])	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)(CC[6a]HO)(N[5]C[5]){1|C<4>,1|N<3>}	H(CC[6a]C[5]H)	108.8725	0.008	2	108.8725	0.000	2	108.6628	0.070	12	108.4284	0.461	25	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:C-4:N[5]-2:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)2(N[5]C[5])	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)2(N[5]C[5]){1|C<3>,1|N<3>}	H(CC[6a]C[5]H)	108.3407	0.130	4	108.3407	0.017	4	108.6628	0.070	12	108.4284	0.461	25	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:C-4:N[5]-2:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5])	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5]){1|C<3>}	H(CC[6a]C[5]H)	108.7207	0.033	4	108.7207	0.001	4	108.6628	0.070	12	108.4284	0.461	25	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:C-4:N[5]-2:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5])	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5]){1|O<2>}	H(CC[6a]C[5]H)	108.9815	0.025	2	108.9815	0.001	2	108.6628	0.070	12	108.4284	0.461	25	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C-4:C-4:O[5]-2:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)2(O[5]C[5])	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]O)(CC[6a]HH)2(O[5]C[5]){1|C<3>}	H(CC[6a]C[5]H)	108.7285	0.268	4	108.7285	0.072	4	108.7285	0.072	4	108.4284	0.461	25	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:2:	4:	C[5]-4:N[5a]-3:H-1:H-1:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C-4:	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])	H(CN[5a]C[5]H)	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5]){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	H(CN[5a]C[5]H)	108.8840	0.020	2	108.8893	0.000	4	108.8893	0.000	4	108.4284	0.461	25	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:2:	4:	C[5]-4:N[5a]-3:H-1:H-1:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C-4:	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])	H(CN[5a]C[5]H)	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	H(CN[5a]C[5]H)	108.8945	0.016	2	108.8893	0.000	4	108.8893	0.000	4	108.4284	0.461	25	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:3:	4:	C[5]-4:C-3:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-3:	C-4:	C(C[5]N[5,5]C[5]C)(COO)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(COO)	H(CC[5]CH)	C(C[5]N[5,5]C[5]C)(COO)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(COO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(CC[5]CH)	108.5300	0.007	2	108.5300	0.000	2	108.5300	0.000	2	108.5864	0.462	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:3:	4:	C[5]-4:C-3:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CCH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(CNO)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(CNO){2|C<3>,4|H<1>}	H(CC[5]CH)	109.0930	0.076	2	109.0930	0.006	2	108.9765	0.021	4	108.5864	0.462	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:3:	4:	C[5]-4:C-3:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(COO)(H)2	C[5](N[5]C[5]O[5])(C[5]C[5]HH)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(COO)(H)2	C[5](N[5]C[5]O[5])(C[5]C[5]HH)(CCHH)(COO){1|C<4>,2|H<1>,2|O<2>}	H(CC[5]CH)	108.8600	0.057	2	108.8600	0.003	2	108.9765	0.021	4	108.5864	0.462	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:3:	4:	C[5]-4:C[6a]-3:Br-1:H-1:	C[6a]-3:C[5]-4:C-4:N[5]-3:	C-4:	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(Br)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(N[5]C[5]S)	H(CC[6a]C[5]Br)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(Br)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(N[5]C[5]S){2|C<3>,6|H<1>}	H(CC[6a]C[5]Br)	107.1390	0.000	1	107.1390	0.000	1	107.1390	0.000	1	108.5864	0.462	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5]C)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(CC[5]CH)	108.6745	0.004	2	108.6745	0.000	2	108.7996	0.039	7	108.7381	0.645	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]N[5])(CCHH)(CH3){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	H(CC[5]CH)	108.6800	0.004	2	108.6800	0.000	2	108.7996	0.039	7	108.7381	0.645	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CC[5]CH)	108.7150	0.000	1	108.7150	0.000	1	108.7996	0.039	7	108.7381	0.645	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CCHH)(CH3){1|H<1>,6|C<3>}	H(CC[5]CH)	109.0865	0.059	2	109.0865	0.003	2	108.7996	0.039	7	108.7381	0.645	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[5a]C[5]2)(CC[6a]C)(H)2	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5a]C[5]2)(CC[6a]C)(H)2	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(CC[5]CH)	108.3095	0.005	2	108.3095	0.000	2	108.3095	0.000	2	108.7381	0.645	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:C[6]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6]C[6]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6]HH)(CH3)	H(CC[5]C[6]H)	C(C[5]C[5,6a]C[5]C)(C[6]C[6]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CC[6]HH)(CH3){1|H<1>,2|C<3>}	H(CC[5]C[6]H)	108.3465	0.066	2	108.3465	0.004	2	108.3465	0.004	2	108.7381	0.645	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(NCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHHN)(CHHO)	H(CC[5]HN)	C(C[5]C[5,6a]C[5]C)(NCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHHN)(CHHO){2|C<3>,3|H<1>}	H(CC[5]HN)	108.2855	0.053	2	108.2855	0.003	2	108.8893	1.498	8	108.7381	0.645	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCCH)(CHHN)	H(CC[5]HN)	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCCH)(CHHN){2|C<3>,3|H<1>}	H(CC[5]HN)	109.8425	2.790	2	109.8425	7.782	2	108.8893	1.498	8	108.7381	0.645	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	3:4:4:4:	4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CHHN)(CH3)	H(CC[5]HN)	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CHHN)(CH3){3|C<3>}	H(CC[5]HN)	108.7145	0.108	4	108.7145	0.012	4	108.8893	1.498	8	108.7381	0.645	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:Br-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(COS)(Br)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CBrCH)(H)	H(CC[5]BrC)	C(C[5]C[5]O[5]H)(COS)(Br)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CBrCH)(H){2|C<4>}	H(CC[5]BrC)	110.1720	0.000	1	110.1720	0.000	1	110.1720	0.000	1	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:F-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCH)(F)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCFH)(H)	H(CC[5]CF)	C(C[5]C[5]O[5]H)(CCH)(F)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCFH)(H){2|C<3>}	H(CC[5]CF)	109.0090	0.257	2	109.0090	0.066	2	109.0377	0.036	3	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:F-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(COO)(F)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCFH)(H)	H(CC[5]CF)	C(C[5]C[5]O[5]H)(COO)(F)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCFH)(H){1|C<3>,2|C<4>}	H(CC[5]CF)	109.0950	0.000	1	109.0950	0.000	1	109.0377	0.036	3	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[3,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[3,5]O[5]H)(CCC)(H)2	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[3,5]O[5]H)(CCC)(H)2	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	H(CC[5]CH)	109.1270	0.000	1	109.1270	0.000	1	109.1270	0.000	1	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5,6]O[5]H)(CCH)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5,6]O[5]H)(CCH)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CCHH)(H){3|H<1>,4|C<4>}	H(CC[5]CH)	109.0040	0.025	2	109.0040	0.001	2	109.0040	0.001	2	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CCO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CCO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(CC[5]CH)	108.5680	0.018	2	108.5680	0.000	2	108.2929	0.916	8	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CN[6]S)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CN[6]S)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.1775	1.396	4	108.1775	1.950	4	108.2929	0.916	8	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(COO)(H)2	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(COO)(H)2	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	H(CC[5]CH)	108.2485	0.595	2	108.2485	0.354	2	108.2929	0.916	8	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5]CH)	107.9373	0.880	4	108.6890	0.579	17	108.6127	0.521	30	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	H(CC[5]CH)	109.2263	0.405	6	108.6890	0.579	17	108.6127	0.521	30	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[5]CH)	108.4295	0.013	2	108.6890	0.579	17	108.6127	0.521	30	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|H<1>,3|C<4>}	H(CC[5]CH)	108.7494	0.702	5	108.6890	0.579	17	108.6127	0.521	30	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	H(CC[5]CH)	108.4047	0.212	3	108.1910	0.634	7	108.6127	0.521	30	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	H(CC[5]CH)	107.0990	0.021	2	108.1910	0.634	7	108.6127	0.521	30	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){3|C<4>,4|H<1>}	H(CC[5]CH)	108.9625	0.015	2	108.1910	0.634	7	108.6127	0.521	30	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCO)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCO)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	H(CC[5]CH)	108.6120	0.027	2	108.6120	0.001	2	108.6127	0.521	30	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5]CH)	108.9940	0.013	2	109.0267	0.001	4	108.6127	0.521	30	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	H(CC[5]CH)	109.0595	0.006	2	109.0267	0.001	4	108.6127	0.521	30	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCC)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCC)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CCHH)(H){2|C<3>,2|H<1>}	H(CC[5]CH)	108.3757	0.605	4	108.3757	0.367	4	108.3757	0.367	4	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	H(CC[5]CH)	109.4520	0.000	1	109.7765	0.211	2	109.1068	1.640	56	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CH)	110.1010	0.000	1	109.7765	0.211	2	109.1068	1.640	56	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.6400	0.025	2	108.6400	0.001	2	109.1068	1.640	56	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CH)	109.0165	0.008	2	109.1813	0.082	3	109.1068	1.640	56	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|S<4>,3|H<1>}	H(CC[5]CH)	109.5110	0.000	1	109.1813	0.082	3	109.1068	1.640	56	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<2>,3|H<1>}	H(CC[5]CH)	109.5060	0.081	2	108.8782	0.658	12	109.1068	1.640	56	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	108.7527	0.835	10	108.8782	0.658	12	109.1068	1.640	56	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCH)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCH)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H){1|O<1>,1|S<4>}	H(CC[5]CH)	111.5450	6.452	2	111.5450	41.624	2	109.1068	1.640	56	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	H(CC[5]CH)	108.7015	0.975	10	108.7015	0.950	10	109.1068	1.640	56	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCN)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCN)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|H<1>}	H(CC[5]CH)	109.4550	0.000	1	109.4550	0.000	1	109.1068	1.640	56	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]CH)	109.6460	1.218	8	109.6460	1.483	8	109.1068	1.640	56	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCO)(H)2	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCO)(H)2	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CH)	108.8185	0.043	2	108.8185	0.002	2	109.1068	1.640	56	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCO)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCO)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CCHH)(H){2|C<4>}	H(CC[5]CH)	108.9815	0.025	2	108.9815	0.001	2	109.1068	1.640	56	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]O)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[6a]O)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H){2|C<3>}	H(CC[5]CH)	109.0880	0.028	2	109.0880	0.001	2	109.1068	1.640	56	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CNO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CNO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){4|H<1>}	H(CC[5]CH)	109.6475	0.056	2	109.6475	0.003	2	109.1068	1.640	56	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(COO)(H)2	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(COO)(H)2	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CH)	108.2155	0.056	2	108.2155	0.003	2	109.1068	1.640	56	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(COO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(COO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.2705	0.018	2	108.2705	0.000	2	109.1068	1.640	56	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(COO)(H)2	C[5](C[5]C[5]SiH)(O[5]C[5,5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(COO)(H)2	C[5](C[5]C[5]SiH)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	109.0727	0.322	4	109.0727	0.104	4	109.1068	1.640	56	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(COO)(H)2	C[5](C[5]C[5]CH)(S[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]S[5]H)(COO)(H)2	C[5](C[5]C[5]CH)(S[5]C[5])(CCHH)(H){1|C<3>,3|H<1>}	H(CC[5]CH)	109.1690	0.000	1	109.1690	0.000	1	109.1690	0.000	1	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(O[5]N[5])(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(O[5]N[5])(CC[5]HH)(H){1|C<3>}	H(CC[5]2H)	108.8130	0.065	2	108.8130	0.004	2	108.8130	0.004	2	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]HH)(H){1|C<4>,1|O<2>,3|C<3>}	H(CC[6a]C[5]H)	109.1350	0.000	1	109.1350	0.000	1	109.1350	0.000	1	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(CC[6a]HH)(H){1|C<2>,1|C<4>,1|N<2>}	H(CC[6a]C[5]H)	107.9190	0.098	2	107.9190	0.010	2	108.3697	0.274	4	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CC[6a]HH)(H){1|C<2>,1|C<4>,1|N<3>}	H(CC[6a]C[5]H)	108.8205	0.013	2	108.8205	0.000	2	108.3697	0.274	4	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]HH)(H){2|C<3>,2|C<4>}	H(CC[6a]C[5]H)	107.9930	0.037	2	107.9930	0.001	2	107.9930	0.001	2	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[3x5,6]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[3x5,6]S[5]H)(NOO)(H)2	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[3x5,6]S[5]H)(NOO)(H)2	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(S[5]C[5])(CHHN)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]HN)	112.3980	0.308	2	112.3980	0.095	2	112.3980	0.095	2	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(NC[6]H)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5,5]O[5]H)(NC[6]H)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(CC[5]HN)	109.8325	0.030	2	109.5360	0.118	4	109.5360	0.118	4	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(NC[6]H)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5,5]O[5]H)(NC[6]H)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	H(CC[5]HN)	109.2395	0.019	2	109.5360	0.118	4	109.5360	0.118	4	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(NCH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5,6]O[5]H)(NCH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(CC[5]HN)	109.2114	0.309	14	109.2114	0.096	14	109.2114	0.096	14	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NCC)(H)2	C[5](C[5]C[5,5]CN)(O[5]C[5,5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NCC)(H)2	C[5](C[5]C[5,5]CN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	H(CC[5]HN)	108.5900	0.000	1	108.5900	0.000	1	109.1172	0.378	72	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NCC)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NCC)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	H(CC[5]HN)	109.2080	0.028	2	109.2080	0.001	2	109.1172	0.378	72	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NCC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NCC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){4|H<1>}	H(CC[5]HN)	108.9715	0.011	4	108.9715	0.000	4	109.1172	0.378	72	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NCC)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NCC)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHN)(H){1|H<1>,2|C<3>}	H(CC[5]HN)	108.6075	0.115	2	108.6075	0.013	2	109.1172	0.378	72	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NCC)(H)2	C[5](C[5]N[5]HH)(O[5]B[5,5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NCC)(H)2	C[5](C[5]N[5]HH)(O[5]B[5,5])(CHHN)(H){2|C<4>,2|O<2>}	H(CC[5]HN)	108.9215	0.025	2	108.9215	0.001	2	109.1172	0.378	72	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NCH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NCH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|C<4>,3|H<1>}	H(CC[5]HN)	109.3336	0.743	17	109.2527	0.504	20	109.1172	0.378	72	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NCH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NCH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){4|H<1>}	H(CC[5]HN)	108.7940	0.020	3	109.2527	0.504	20	109.1172	0.378	72	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NCH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NCH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]HN)	108.9400	1.317	4	108.9530	0.878	12	109.1172	0.378	72	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NCH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NCH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,3|H<1>}	H(CC[5]HN)	108.8373	0.904	6	108.9530	0.878	12	109.1172	0.378	72	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NCH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NCH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<4>,1|H<1>,2|O<2>}	H(CC[5]HN)	109.3260	0.031	2	108.9530	0.878	12	109.1172	0.378	72	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NCH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NCH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<1>}	H(CC[5]HN)	109.1743	0.352	15	109.1743	0.124	15	109.1172	0.378	72	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NCH)(H)2	C[5](C[5]O[5]CC)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NCH)(H)2	C[5](C[5]O[5]CC)(O[5]C[5])(CHHN)(H){1|C<3>,1|H<1>}	H(CC[5]HN)	108.7010	1.475	2	108.7010	2.176	2	109.1172	0.378	72	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NCuC)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NCuC)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H){1|Cu<6>,1|C<3>,2|H<1>}	H(CC[5]HN)	109.8420	0.013	2	109.8420	0.000	2	109.1172	0.378	72	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NNiC)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NNiC)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H){1|Ni<6>,1|C<3>,2|H<1>}	H(CC[5]HN)	108.6800	0.086	2	108.6800	0.007	2	109.1172	0.378	72	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NOsC)(H)2	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NOsC)(H)2	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	H(CC[5]HN)	109.3515	0.076	2	109.3515	0.006	2	109.1172	0.378	72	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NReC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NReC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,3|H<1>}	H(CC[5]HN)	109.2965	0.019	2	109.2965	0.000	2	109.1172	0.378	72	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NRuC)(H)2	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NRuC)(H)2	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	H(CC[5]HN)	109.1515	0.032	2	109.1515	0.001	2	109.1172	0.378	72	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NRuC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NRuC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){4|H<1>}	H(CC[5]HN)	109.1705	0.015	2	109.1705	0.000	2	109.1172	0.378	72	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(NCC)(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]S[5]H)(NCC)(H)2	C[5](C[5]S[5]HH)(S[5]C[5])(CHHN)(H){1|C<3>}	H(CC[5]HN)	109.3500	0.000	1	109.3500	0.000	1	109.3500	0.000	1	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[3,5]O[5]H)(N[5]C[5]2)(H)2	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CN[5]HH)(H)	H(CC[5]N[5]H)	C(C[5]C[3,5]O[5]H)(N[5]C[5]2)(H)2	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CN[5]HH)(H){1|S<2>,2|H<1>}	H(CC[5]N[5]H)	108.7625	0.056	2	108.7625	0.003	2	108.7625	0.003	2	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HS)(O[5]C[5])(CN[5]HH)(H)	H(CC[5]N[5]H)	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HS)(O[5]C[5])(CN[5]HH)(H){1|N<3>,3|H<1>}	H(CC[5]N[5]H)	107.5960	0.216	2	107.5960	0.047	2	108.7622	0.333	12	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CN[5]HH)(H)	H(CC[5]N[5]H)	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CN[5]HH)(H){1|C<3>,1|O<1>}	H(CC[5]N[5]H)	108.7945	0.008	2	108.7945	0.000	2	108.7622	0.333	12	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CN[5]HH)(H)	H(CC[5]N[5]H)	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CN[5]HH)(H){2|C<4>}	H(CC[5]N[5]H)	109.0456	0.191	8	109.0456	0.036	8	108.7622	0.333	12	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(N[6]C[6]2)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CN[6]HH)(H)	H(CC[5]N[6]H)	C(C[5]C[5,5]O[5]H)(N[6]C[6]2)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CN[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(CC[5]N[6]H)	109.7030	0.030	2	109.7030	0.001	2	109.7030	0.001	2	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(N[6]C[5a,6]2)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CN[6]HH)(H)	H(CC[5]N[6]H)	C(C[5]C[5]O[5]H)(N[6]C[5a,6]2)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CN[6]HH)(H){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]N[6]H)	108.8650	0.007	2	108.8650	0.000	2	109.5658	1.704	10	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CN[6]HH)(H)	H(CC[5]N[6]H)	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CN[6]HH)(H){4|H<1>}	H(CC[5]N[6]H)	109.2915	0.013	2	109.2915	0.000	2	109.5658	1.704	10	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H)	H(CC[5]N[6]H)	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H){1|N<2>,1|O<1>}	H(CC[5]N[6]H)	108.9005	0.226	4	108.9005	0.051	4	109.5658	1.704	10	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(CN[6]HH)(H)	H(CC[5]N[6]H)	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	C[5](C[5]O[5]HH)(O[5]C[5,6])(CN[6]HH)(H){2|C<3>}	H(CC[5]N[6]H)	111.8715	1.282	2	111.8715	1.643	2	109.5658	1.704	10	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:N[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(N[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CN[6a]HH)(H)	H(CN[6a]C[5]H)	C(C[5]C[5]O[5]H)(N[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CN[6a]HH)(H){1|C<3>,1|O<2>,2|H<1>}	H(CN[6a]C[5]H)	109.1400	0.000	1	109.1400	0.000	1	109.1400	0.000	1	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:O-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OCoC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OCoC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,1|O<3>,2|H<1>}	H(CC[5]HO)	109.1925	0.049	2	109.1925	0.002	2	109.1848	0.102	8	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:O-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(ONiH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(ONiH)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HO)	108.9425	0.087	4	108.9425	0.008	4	109.1848	0.102	8	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:O-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OPtH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OPtH)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	H(CC[5]HO)	109.6615	0.018	2	109.6615	0.000	2	109.1848	0.102	8	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:1:	4:	C[5]-4:S-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(SC[6a]O)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]O[5]H)(SC[6a]O)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHS)(H){1|C<4>,3|H<1>}	H(CC[5]HS)	109.8123	0.017	3	109.8123	0.000	3	109.8123	0.000	3	109.0467	0.859	246	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(CCH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CCH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(OH){1|O<2>,3|C<4>}	H(CC[5]CH)	108.4870	0.333	4	108.4870	0.111	4	108.6953	0.172	6	108.5482	0.423	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(COO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(COO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(OH){1|O<1>,2|C<4>}	H(CC[5]CH)	109.1120	0.079	2	109.1120	0.006	2	108.6953	0.172	6	108.5482	0.423	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:2:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(NCC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(OH)	H(CC[5]HN)	C(C[5]C[5]O[5]O)(NCC)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(OH){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HN)	108.1070	1.257	2	108.1070	1.581	2	108.1070	1.581	2	108.5482	0.423	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:N-3:	C-4:	C(C[5]C[5,5]O[5]N)(COO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(NCH)	H(CC[5]CH)	C(C[5]C[5,5]O[5]N)(COO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(NCH){1|O<2>,2|C<4>,2|H<1>}	H(CC[5]CH)	109.0220	0.042	2	109.0220	0.002	2	109.0220	0.002	2	108.7455	0.249	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5,6]O[5]C)(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]Cr)(O[5]Si[5])(CCHH)(CCH)	H(CC[5]CH)	C(C[5]C[5,6]O[5]C)(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]Cr)(O[5]Si[5])(CCHH)(CCH){1|H<1>,4|C<4>}	H(CC[5]CH)	108.7885	0.023	2	108.7885	0.001	2	108.7885	0.001	2	108.7455	0.249	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CCH)(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCH)(H)2	C[5](C[5]S[5]HH)(N[5]C[5])(CCHH)(COO){1|C<3>}	H(CC[5]CH)	108.5800	0.021	2	108.5800	0.000	2	108.5800	0.000	2	108.7455	0.249	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(COO){1|O<1>,2|H<1>}	H(CC[5]CH)	108.9305	0.135	4	108.9305	0.018	4	108.7185	0.119	6	108.7455	0.249	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(COO){1|O<1>,2|H<1>}	H(CC[5]CH)	108.2945	0.013	2	108.2945	0.000	2	108.7185	0.119	6	108.7455	0.249	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:3:	4:	C[5]-4:N-3:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5,5]O[5]C)(NCS)(H)2	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHN)(CCO)	H(CC[5]HN)	C(C[5]C[5,5]O[5]C)(NCS)(H)2	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHN)(CCO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[5]HN)	109.5625	0.006	2	109.5625	0.000	2	109.5625	0.000	2	108.7455	0.249	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:3:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(NC[6a]C)(H)2	C[5](C[5]C[5]HH)(N[5]N[5])(CHHN)(COO)	H(CC[5]HN)	C(C[5]C[5]N[5]C)(NC[6a]C)(H)2	C[5](C[5]C[5]HH)(N[5]N[5])(CHHN)(COO){2|H<1>}	H(CC[5]HN)	107.8555	0.046	2	107.8555	0.002	2	107.8555	0.002	2	108.7455	0.249	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(COO)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CCHH)2	H(CC[5]CH)	C(C[5]C[5,5]O[5]C)(COO)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CCHH)2{1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(CC[5]CH)	109.2015	0.009	2	109.2015	0.000	2	109.2015	0.000	2	108.8421	0.129	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(CCHH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(CCHH){2|C<4>,2|H<1>}	H(CC[5]CH)	108.5235	0.011	2	108.5235	0.000	2	108.8295	0.187	12	108.8421	0.129	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CH3){1|O<1>,2|H<1>}	H(CC[5]CH)	109.4590	0.020	2	109.4590	0.000	2	108.8295	0.187	12	108.8421	0.129	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCH)(H)2	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(CC3)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCH)(H)2	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(CC3){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]CH)	108.2285	0.009	2	108.2285	0.000	2	108.8295	0.187	12	108.8421	0.129	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CC[5]CH)	109.2220	0.018	2	109.2220	0.000	2	108.8295	0.187	12	108.8421	0.129	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)2{2|C<4>}	H(CC[5]CH)	108.6760	0.016	2	108.6760	0.000	2	108.8295	0.187	12	108.8421	0.129	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(COS)(H)2	C[5](C[5]C[5,6]HH)(O[5]O[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(COS)(H)2	C[5](C[5]C[5,6]HH)(O[5]O[5])(CCHH)(CH3){2|C<4>}	H(CC[5]CH)	108.8680	0.007	2	108.8680	0.000	2	108.8295	0.187	12	108.8421	0.129	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(CHHO)	H(CC[5]2H)	C(C[5]C[5]O[5]C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(CHHO){1|O<1>,2|H<1>}	H(CC[5]2H)	108.5930	0.028	2	108.5930	0.001	2	108.5930	0.001	2	108.8421	0.129	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:2:4:4:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(NC[6a]H)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CHHN)	H(CC[5]HN)	C(C[5]C[5]O[5]C)(NC[6a]H)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CHHN){1|H<1>,3|C<3>}	H(CC[5]HN)	108.8247	0.024	4	108.8247	0.001	4	108.8247	0.001	4	108.8421	0.129	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5]2N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]2)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[5]2N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]2)(CC[6a]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(CC[6a]C[5]H)	108.4733	0.012	4	108.4733	0.000	4	108.4733	0.000	4	108.4877	0.001	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:B[5]-3:C-4:	C-4:	C(C[5]B[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(B[5]O[5]2)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]B[5]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(B[5]O[5]2)(CC[6a]HH){2|C<3>,2|C<4>}	H(CC[6a]C[5]H)	108.4720	0.000	1	108.4720	0.000	1	108.4720	0.000	1	108.4877	0.001	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:3:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]HH)	H(CC[6a]C[5]H)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,4|C<3>}	H(CC[6a]C[5]H)	108.5245	0.009	2	108.5245	0.000	2	108.5245	0.000	2	108.4877	0.001	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:B-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(BOO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CBHH)(H)	H(CC[5]BH)	C(C[5]C[5]N[5]H)(BOO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CBHH)(H){4|H<1>}	H(CC[5]BH)	109.3855	0.776	2	109.3855	0.602	2	109.3855	0.602	2	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:F-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CNO)(F)(H)	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCFH)(H)	H(CC[5]CF)	C(C[5]C[5]N[5]H)(CNO)(F)(H)	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCFH)(H){1|O<1>,4|C<3>}	H(CC[5]CF)	107.8820	0.694	4	107.8820	0.482	4	107.8820	0.482	4	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	B[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]B[5,5]N[5]H)(COO)(H)2	C[5](B[5,5]O[5]3)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]B[5,5]N[5]H)(COO)(H)2	C[5](B[5,5]O[5]3)(N[5]C[5]C)(CCHH)(H){1|C<3>,2|C<4>}	H(CC[5]CH)	107.8980	0.088	2	107.8980	0.008	2	107.8980	0.008	2	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[3x5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[3x5,6]N[5]H)(CCH)(H)2	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[3x5,6]N[5]H)(CCH)(H)2	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.9080	0.000	1	108.9080	0.000	1	108.9080	0.000	1	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(CCH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5,6]C[5]H)(CCH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]O)(CCHH)(H){3|H<1>,4|C<4>}	H(CC[5]CH)	109.0768	0.165	4	109.0768	0.027	4	108.9498	0.056	6	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(CHN)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5,6]C[5]H)(CHN)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	H(CC[5]CH)	108.6960	0.057	2	108.6960	0.003	2	108.9498	0.056	6	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]O)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(CC[5]CH)	108.9265	0.022	2	108.9265	0.000	2	108.9635	0.021	11	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]H)(CNO)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(CNO)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CC[5]CH)	109.0770	0.010	2	109.0770	0.000	2	108.9635	0.021	11	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]H)(COO)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(COO)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CC[5]CH)	108.8162	0.104	4	108.8162	0.011	4	108.9635	0.021	11	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]H)(COO)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(COO)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,5|C<3>}	H(CC[5]CH)	109.1087	0.027	3	109.1087	0.001	3	108.9635	0.021	11	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[5a]O)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[5a]O)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(CC[5]CH)	108.9280	0.016	2	108.9280	0.000	2	109.0417	1.017	6	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CNO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CNO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCHH)(H){2|C<4>,4|H<1>}	H(CC[5]CH)	109.0985	1.297	4	109.0985	1.682	4	109.0417	1.017	6	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CC[6a]O)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]N[5]H)(CC[6a]O)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCHH)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(CC[5]CH)	109.2660	0.021	2	109.2660	0.000	2	109.3145	0.425	11	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CNO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]N[5]H)(CNO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]CH)	109.6320	1.967	2	109.6320	3.870	2	109.3145	0.425	11	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(COO)(H)2	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]N[5]H)(COO)(H)2	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	H(CC[5]CH)	109.2956	0.102	5	109.2956	0.010	5	109.3145	0.425	11	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(COO)(H)2	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]N[5]H)(COO)(H)2	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(CCHH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(CC[5]CH)	109.0925	0.172	2	109.0925	0.030	2	109.3145	0.425	11	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]CH)	108.4095	5.428	2	108.4095	29.468	2	108.6729	2.376	17	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	H(CC[5]CH)	107.6705	2.312	2	107.6705	5.343	2	108.6729	2.376	17	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH)(H){2|C<4>,2|H<1>}	H(CC[5]CH)	108.8490	0.031	2	108.8490	0.001	2	108.6729	2.376	17	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCH)(H)2	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCH)(H)2	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(CC[5]CH)	108.5010	0.000	1	108.5010	0.000	1	108.6729	2.376	17	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.6510	0.008	2	108.6510	0.000	2	108.6729	2.376	17	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[6a]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[6a]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	H(CC[5]CH)	109.0220	0.006	2	109.0220	0.000	2	108.6729	2.376	17	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(COO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(COO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	H(CC[5]CH)	108.9815	0.018	2	108.9815	0.000	2	108.6729	2.376	17	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(COO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(COO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H){2|C<4>,3|H<1>}	H(CC[5]CH)	109.1835	0.033	2	109.1835	0.001	2	108.6729	2.376	17	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(COO)(H)2	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(COO)(H)2	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(CC[5]CH)	108.7025	0.011	2	108.7025	0.000	2	108.6729	2.376	17	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(CC[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]N[5]H)(CC[6]O)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	H(CC[5]CH)	108.5330	0.006	2	108.5330	0.000	2	108.7327	0.053	4	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(COO)(H)2	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]N[5]H)(COO)(H)2	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]S)(CCHH)(H){2|C<3>,3|H<1>}	H(CC[5]CH)	108.9325	0.019	2	108.9325	0.000	2	108.7327	0.053	4	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCC)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCC)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){2|H<1>}	H(CC[5]CH)	108.9945	0.015	2	108.9945	0.000	2	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCC)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCC)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	H(CC[5]CH)	108.9393	0.156	6	108.9393	0.024	6	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCC)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCC)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H){2|C<4>,3|C<3>}	H(CC[5]CH)	106.9770	0.643	2	106.9770	0.414	2	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|O<1>,1|O<2>}	H(CC[5]CH)	108.4760	0.000	1	107.8877	0.260	3	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	H(CC[5]CH)	107.5935	0.028	2	107.8877	0.260	3	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.1605	1.433	4	108.1605	2.054	4	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCHH)(H){1|Si<4>,1|C<4>,1|H<1>}	H(CC[5]CH)	107.3260	0.148	3	107.3260	0.022	3	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CH)	108.2280	0.051	2	108.2280	0.003	2	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|S<4>}	H(CC[5]CH)	109.2555	0.022	2	109.2555	0.000	2	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	H(CC[5]CH)	108.7955	0.071	2	108.7955	0.005	2	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	108.2660	0.048	2	108.2660	0.002	2	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.8730	0.018	2	108.8730	0.000	2	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(H){1|C<3>,1|O<1>}	H(CC[5]CH)	108.9420	0.044	2	108.9420	0.002	2	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H){1|N<3>,3|C<3>}	H(CC[5]CH)	108.7570	0.006	2	108.7535	2.753	4	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H){2|C<4>,3|C<3>}	H(CC[5]CH)	108.7500	2.874	2	108.7535	2.753	4	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	H(CC[5]CH)	108.9140	0.000	1	108.9140	0.000	1	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5,6]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[5,6]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|O<2>}	H(CC[5]CH)	107.9970	0.006	2	107.9970	0.000	2	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){1|H<1>,1|O<2>}	H(CC[5]CH)	109.0892	0.209	5	109.0892	0.044	5	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){1|C<4>,2|H<1>}	H(CC[5]CH)	108.7960	0.024	2	108.7960	0.001	2	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCHH)(H){1|C<3>,2|H<1>}	H(CC[5]CH)	109.5875	0.040	2	109.5875	0.002	2	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CHN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){2|C<3>,2|H<1>}	H(CC[5]CH)	109.4050	0.062	2	109.4050	0.004	2	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5,6]CC)(C[5]N[5,6]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5,6]CC)(C[5]N[5,6]O)(CCHH)(H){1|C<3>,1|C<4>}	H(CC[5]CH)	108.4890	0.007	2	108.4890	0.000	2	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H){2|C<3>}	H(CC[5]CH)	109.1050	0.030	2	109.1050	0.001	2	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.6460	0.000	1	108.6460	0.000	1	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(CCHH)(H){2|C<3>}	H(CC[5]CH)	108.9740	0.008	2	108.9740	0.000	2	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H){2|H<1>}	H(CC[5]CH)	108.8010	0.008	2	108.8010	0.000	2	108.6256	0.642	59	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCH)(H)2	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCH)(H)2	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CH)	109.1577	0.106	6	109.1577	0.011	6	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCH)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	H(CC[5]CH)	109.0990	0.147	4	109.0990	0.022	4	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<3>,3|H<1>}	H(CC[5]CH)	108.6970	0.034	2	108.6970	0.001	2	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){2|C<3>,2|H<1>}	H(CC[5]CH)	109.3950	0.014	2	109.3950	0.000	2	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCO)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCO)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCHH)(H){2|C<3>}	H(CC[5]CH)	108.7958	0.301	20	108.7958	0.091	20	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCO)(H)2	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCO)(H)2	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	H(CC[5]CH)	108.7855	0.006	2	108.7855	0.000	2	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]C)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[6a]C)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	109.6250	0.014	2	109.6250	0.000	2	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	108.6732	0.213	4	108.6732	0.045	4	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	109.5165	0.049	2	109.5165	0.002	2	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH)(H){1|O<1>}	H(CC[5]CH)	109.9767	3.990	4	109.9767	15.917	4	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CNO)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CNO)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	H(CC[5]CH)	109.1720	0.179	4	109.1720	0.032	4	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CNO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CNO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]CH)	107.1765	0.011	2	108.2400	1.508	4	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CNO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CNO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	109.3035	0.016	2	108.2400	1.508	4	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CNO)(H)2	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CNO)(H)2	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCHH)(H){1|O<1>,4|C<3>}	H(CC[5]CH)	108.8769	0.124	7	108.8769	0.015	7	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CNO)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CNO)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(H){5|C<3>}	H(CC[5]CH)	108.7270	0.286	2	108.7270	0.082	2	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CN[5]O)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CN[5]O)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]CH)	108.5877	1.811	4	108.5877	3.281	4	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	H(CC[5]CH)	109.3693	0.114	3	109.3693	0.013	3	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	109.2505	0.039	2	109.2505	0.002	2	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){4|H<1>}	H(CC[5]CH)	109.6290	0.000	1	109.6290	0.000	1	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	H(CC[5]CH)	109.0365	0.015	2	109.0365	0.000	2	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	H(CC[5]CH)	109.6490	0.023	2	109.6490	0.001	2	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(CCHH)(H){1|O<1>,3|C<3>}	H(CC[5]CH)	109.0720	0.228	4	109.0720	0.052	4	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]H)(CCHH)(H){1|H<1>,1|O<1>}	H(CC[5]CH)	109.2875	0.071	2	109.2875	0.005	2	109.0113	0.917	85	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C-3:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCO)(H)2	C[5](N[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCO)(H)2	C[5](N[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.5750	0.013	2	108.5750	0.000	2	108.5750	0.000	2	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[5]C[3,5]C[5]C)(C[5]C[3,5]C)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[5]C[3,5]C[5]C)(C[5]C[3,5]C)(CC[5]HH)(H){1|C<4>,2|O<2>,3|H<1>}	H(CC[5]2H)	109.2740	0.034	2	109.2740	0.001	2	109.2740	0.001	2	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]N[5]H)(C[5]N[5]2)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(CC[5]HH)(H){2|C<4>,2|H<1>}	H(CC[5]2H)	108.0310	0.000	1	108.0310	0.000	1	108.0310	0.000	1	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH)(H)	H(CC[5]C[6]H)	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH)(H){1|C<3>,2|H<1>}	H(CC[5]C[6]H)	105.7845	0.015	2	105.7845	0.000	2	105.7845	0.000	2	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:F-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(F)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]FH)(H)	H(CC[6a]C[5]F)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(F)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]FH)(H){4|H<1>}	H(CC[6a]C[5]F)	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CC[6a]C[5]H)	107.8400	0.010	2	107.8400	0.000	2	108.3075	0.392	6	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5]2S[5])(C[5]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5]2S[5])(C[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(CC[6a]C[5]H)	109.1120	0.016	2	109.1120	0.000	2	108.3075	0.392	6	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5]N[5]2)(C[5]S[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5]N[5]2)(C[5]S[5]C)(CC[6a]HH)(H){1|N<2>,2|C<3>,2|C<4>}	H(CC[6a]C[5]H)	107.9705	0.023	2	107.9705	0.001	2	108.3075	0.392	6	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(CC[6a]C[5]H)	109.4645	0.011	2	109.4645	0.000	2	109.0318	0.192	11	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[6a]C[5]H)	108.4155	0.021	2	108.4155	0.000	2	109.0318	0.192	11	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(CC[6a]HH)(H){3|C<4>,3|H<1>}	H(CC[6a]C[5]H)	108.4760	0.000	1	108.4760	0.000	1	109.0318	0.192	11	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]C[5]H)	109.3500	0.069	4	109.3500	0.005	4	109.0318	0.192	11	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5]3)(N[5]C[5]S)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5]3)(N[5]C[5]S)(CC[6a]HH)(H){1|O<1>,2|C<4>,6|H<1>}	H(CC[6a]C[5]H)	108.8570	0.021	2	108.8570	0.000	2	109.0318	0.192	11	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,3|C<3>}	H(CC[6a]C[5]H)	108.1425	0.018	4	108.1425	0.000	4	108.1425	0.000	4	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CC[6a]C[5]H)	108.5540	0.000	1	108.5540	0.000	1	108.9151	0.509	22	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(CC[6a]C[5]H)	108.1707	0.090	4	108.1205	0.011	6	108.9151	0.509	22	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[6a]C[5]H)	108.0200	0.004	2	108.1205	0.011	6	108.9151	0.509	22	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[6a]C[5]H)	109.5285	0.052	2	108.9983	0.160	7	108.9151	0.509	22	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|O<1>,3|C<4>}	H(CC[6a]C[5]H)	108.8225	0.032	2	108.9983	0.160	7	108.9151	0.509	22	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CC[6a]C[5]H)	108.9270	0.031	2	108.9983	0.160	7	108.9151	0.509	22	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,4|C<4>}	H(CC[6a]C[5]H)	108.4320	0.000	1	108.9983	0.160	7	108.9151	0.509	22	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,4|H<1>}	H(CC[6a]C[5]H)	109.4834	0.669	8	109.4834	0.447	8	108.9151	0.509	22	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5,5]O)(CC[6a]HH)(H){2|C<3>,2|C<4>}	H(CC[6a]C[5]H)	108.9935	0.046	2	108.9935	0.002	2	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]HH)(N[5]N[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]HH)(N[5]N[5]C)(CC[6a]HH)(H){1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	106.1705	1.258	2	106.1705	1.582	2	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5]H)	108.5727	0.436	4	108.5727	0.190	4	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[6a]C[5]H)	108.4700	0.021	2	108.4700	0.000	2	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]CH)(N[5]N[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]CH)(N[5]N[5]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.2710	0.006	2	109.2710	0.000	2	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,3|H<1>}	H(CC[6a]C[5]H)	109.0415	0.011	2	109.0415	0.000	2	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]H)(CC[6a]HH)(H){1|C<3>,1|O<1>}	H(CC[6a]C[5]H)	108.9227	0.044	4	108.9227	0.002	4	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]S)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]S)(CC[6a]HH)(H){1|C<3>}	H(CC[6a]C[5]H)	109.9280	0.000	1	109.9280	0.000	1	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[6a]HH)(H){2|H<1>}	H(CC[6a]C[5]H)	108.9440	0.004	2	108.9440	0.000	2	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,3|H<1>}	H(CC[6a]C[5]H)	108.6893	0.178	4	108.8234	1.610	10	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H){1|H<1>,1|O<1>,1|O<2>}	H(CC[6a]C[5]H)	108.8225	1.831	2	108.8234	1.610	10	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	H(CC[6a]C[5]H)	108.9580	1.906	4	108.8234	1.610	10	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[6a]C[5]H)	108.8215	0.101	2	108.8215	0.010	2	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]S)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]S)(CC[6a]HH)(H){2|C<4>,2|H<1>}	H(CC[6a]C[5]H)	108.3440	0.062	2	108.3440	0.004	2	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HO)(N[5]N[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HO)(N[5]N[5]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.1970	0.000	1	109.1970	0.000	1	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]RhH)(N[5]C[5]P)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]RhH)(N[5]C[5]P)(CC[6a]HH)(H){1|C<4>,2|H<1>}	H(CC[6a]C[5]H)	107.7005	0.329	2	107.7005	0.108	2	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H){1|H<1>,5|C<3>}	H(CC[6a]C[5]H)	108.4630	0.040	2	108.4630	0.002	2	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(CC[6a]C[5]H)	108.6050	0.008	2	108.6050	0.000	2	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>,3|C<3>}	H(CC[6a]C[5]H)	109.4607	0.025	3	109.4607	0.001	3	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(CC[6a]HH)(H){1|H<1>,2|C<3>,2|O<1>}	H(CC[6a]C[5]H)	109.9288	0.136	4	109.9288	0.018	4	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|Pd<4>,1|C<3>}	H(CC[6a]C[5]H)	108.9165	0.021	2	108.9165	0.000	2	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CC[6a]HH)(H){2|C<3>}	H(CC[6a]C[5]H)	108.4843	0.109	4	108.4843	0.012	4	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H){2|C<3>}	H(CC[6a]C[5]H)	108.8143	0.277	6	108.8143	0.077	6	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H){1|C<3>,1|O<1>}	H(CC[6a]C[5]H)	109.9925	1.303	4	109.5193	1.556	6	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H){1|H<1>,2|C<3>}	H(CC[6a]C[5]H)	108.5730	0.041	2	109.5193	1.556	6	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	H(CC[6a]C[5]H)	108.7865	0.106	6	108.1315	0.749	10	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>}	H(CC[6a]C[5]H)	107.1490	0.290	4	108.1315	0.749	10	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	H(CC[6a]C[5]H)	109.1862	0.182	5	109.1862	0.033	5	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]2)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]2)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<4>}	H(CC[6a]C[5]H)	109.5980	0.017	2	109.5980	0.000	2	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|C<4>}	H(CC[6a]C[5]H)	108.8620	0.040	2	108.8180	1.143	121	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|H<1>}	H(CC[6a]C[5]H)	109.3788	0.023	5	108.8180	1.143	121	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>}	H(CC[6a]C[5]H)	108.6650	0.218	4	108.8180	1.143	121	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	H(CC[6a]C[5]H)	108.7957	1.125	108	108.8180	1.143	121	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>}	H(CC[6a]C[5]H)	108.8845	0.012	2	108.8180	1.143	121	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CC[6a]HH)(H){1|C<3>}	H(CC[6a]C[5]H)	108.5667	0.203	6	108.5667	0.041	6	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CC[6a]HH)(H){1|C<3>}	H(CC[6a]C[5]H)	109.1070	0.000	1	109.1070	0.000	1	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	H(CC[6a]C[5]H)	108.4296	0.105	12	108.4296	0.011	12	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CC[6a]HH)(H){1|C<3>}	H(CC[6a]C[5]H)	109.5830	0.325	4	109.5830	0.106	4	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]N)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]N)(CC[6a]HH)(H){1|O<1>}	H(CC[6a]C[5]H)	107.7910	1.281	2	107.7910	1.642	2	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H){1|C<3>}	H(CC[6a]C[5]H)	108.7702	0.308	5	108.6184	0.082	9	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)(H){1|C<4>}	H(CC[6a]C[5]H)	108.4288	0.079	4	108.6184	0.082	9	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC[6a]HH)(H){1|C<4>}	H(CC[6a]C[5]H)	108.8380	0.078	3	108.8380	0.006	3	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CC[6a]HH)(H){1|O<1>}	H(CC[6a]C[5]H)	108.4975	0.060	2	108.4975	0.004	2	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|S<1>}	H(CC[6a]C[5]H)	109.0520	0.378	3	109.0520	0.143	3	108.7858	0.876	247	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]B[5,6a]CC)(C[5]N[5,6a]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]B[5,6a]CC)(C[5]N[5,6a]O)(CC[6a]HH)(H){1|C<3>,1|N<2>,1|O<2>}	H(CC[6a]C[5]H)	109.1425	0.006	2	109.1425	0.000	2	108.5870	0.340	25	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(CC[6a]HH)(H){1|C<3>,1|N<2>,1|O<2>}	H(CC[6a]C[5]H)	109.0325	0.023	2	109.0325	0.001	2	108.5870	0.340	25	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,2|C<4>}	H(CC[6a]C[5]H)	107.5290	0.000	1	108.4917	0.348	21	108.5870	0.340	25	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H){3|C<4>}	H(CC[6a]C[5]H)	108.5398	0.562	20	108.4917	0.348	21	108.5870	0.340	25	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(NCC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5,5]N[5]H)(NCC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CHHN)(H){1|O<2>,2|C<4>,2|H<1>}	H(CC[5]HN)	108.8100	0.016	2	108.8100	0.000	2	108.8100	0.000	2	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(NC[6a]C)(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5,6]C[5]H)(NC[6a]C)(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)(CHHN)(H){2|C<3>}	H(CC[5]HN)	109.4935	0.372	4	109.4935	0.138	4	109.4935	0.138	4	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H){1|C<4>,1|H<1>}	H(CC[5]HN)	109.3658	0.251	4	109.3658	0.063	4	109.1643	0.393	17	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]H)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]H)(CHHN)(H){1|C<4>,1|O<1>}	H(CC[5]HN)	110.0335	1.669	2	110.0335	2.787	2	109.1643	0.393	17	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H){1|C<3>,2|H<1>}	H(CC[5]HN)	108.5495	0.016	2	108.6645	0.013	6	109.1643	0.393	17	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H){1|Si<4>,2|H<1>}	H(CC[5]HN)	108.7220	0.093	4	108.6645	0.013	6	109.1643	0.393	17	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NC[6]H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NC[6]H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H){1|C<4>,1|H<1>}	H(CC[5]HN)	109.3540	0.040	2	109.3540	0.002	2	109.1643	0.393	17	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NC[6a]H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NC[6a]H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H){1|C<4>,1|H<1>}	H(CC[5]HN)	109.1893	0.025	3	109.1893	0.001	3	109.1643	0.393	17	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NCH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NCH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHN)(H){4|H<1>}	H(CC[5]HN)	108.5803	0.034	4	108.5803	0.001	4	109.2101	0.141	29	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NCH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NCH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHN)(H){1|H<1>,1|N<3>,1|O<1>}	H(CC[5]HN)	108.9855	0.013	2	108.9855	0.000	2	109.2101	0.141	29	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NCH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NCH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]C)(CHHN)(H){1|C<3>,2|H<1>}	H(CC[5]HN)	109.5264	0.099	7	109.5264	0.010	7	109.2101	0.141	29	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NCS)(H)2	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NCS)(H)2	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(CC[5]HN)	109.2590	0.049	2	109.2082	0.004	4	109.2101	0.141	29	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NCS)(H)2	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NCS)(H)2	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H){1|N<3>,2|H<1>,3|C<3>}	H(CC[5]HN)	109.1575	0.012	2	109.2082	0.004	4	109.2101	0.141	29	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NHO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NHO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHN)(H){4|H<1>}	H(CC[5]HN)	109.1110	0.013	2	109.1110	0.000	2	109.2101	0.141	29	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NHS)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NHS)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H){2|C<3>}	H(CC[5]HN)	109.5985	0.092	4	109.5985	0.008	4	109.2101	0.141	29	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NHS)(H)2	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NHS)(H)2	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CHHN)(H){1|O<1>,2|H<1>}	H(CC[5]HN)	109.2810	0.820	2	109.2810	0.673	2	109.2101	0.141	29	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NOO)(H)2	C[5](C[5]C[5]Cl2)(N[5]C[5]S)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NOO)(H)2	C[5](C[5]C[5]Cl2)(N[5]C[5]S)(CHHN)(H){1|C<4>,3|H<1>}	H(CC[5]HN)	109.0265	0.052	4	109.0265	0.003	4	109.2101	0.141	29	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(CN[5]HH)(H)	H(CC[5]N[5]H)	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(CN[5]HH)(H){4|C<3>}	H(CC[5]N[5]H)	108.7150	0.000	1	108.7150	0.000	1	109.1384	0.695	9	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5]HH)(H)	H(CC[5]N[5]H)	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5]HH)(H){1|C<4>,1|H<1>}	H(CC[5]N[5]H)	108.8057	0.129	6	108.8057	0.017	6	109.1384	0.695	9	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]H)(CN[5]HH)(H)	H(CC[5]N[5]H)	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]H)(CN[5]HH)(H){1|C<4>,1|O<1>}	H(CC[5]N[5]H)	110.3485	1.306	2	110.3485	1.706	2	109.1384	0.695	9	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H)	H(CC[5]N[6]H)	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H){1|C<3>,1|H<1>}	H(CC[5]N[6]H)	109.2750	0.115	2	108.9648	0.047	31	108.9648	0.047	31	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H)	H(CC[5]N[6]H)	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H){1|C<4>,1|H<1>}	H(CC[5]N[6]H)	108.9434	0.207	29	108.9648	0.047	31	108.9648	0.047	31	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:O-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OLiC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Si)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OLiC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Si)(CHHO)(H){4|H<1>}	H(CC[5]HO)	109.4712	0.268	5	109.4712	0.072	5	109.7716	0.267	15	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:O-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OMgC)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OMgC)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Mg)(CHHO)(H){1|C<3>}	H(CC[5]HO)	110.3442	0.130	6	110.3442	0.017	6	109.7716	0.267	15	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:O-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OPdC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OPdC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	H(CC[5]HO)	109.2883	0.072	4	109.2883	0.005	4	109.7716	0.267	15	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:O-3:H-1:H-1:	C[5]-4:O[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OAl2)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Al)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OAl2)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Al)(CHHO)(H){4|H<1>}	H(CC[5]HO)	109.5617	0.405	7	109.5617	0.164	7	109.5834	0.100	11	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:O-3:H-1:H-1:	C[5]-4:O[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(OMnH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(OMnH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Mn)(CHHO)(H){4|H<1>}	H(CC[5]HO)	109.6680	0.034	2	109.6680	0.001	2	109.5834	0.100	11	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:O-3:H-1:H-1:	C[5]-4:O[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(ONiH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]O[5]H)(ONiH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Ni)(CHHO)(H){4|H<1>}	H(CC[5]HO)	109.5745	0.026	2	109.5745	0.001	2	109.5834	0.100	11	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:1:	4:	C[5]-4:P-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(PC[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHP)(H)	H(CC[5]HP)	C(C[5]C[5]N[5]H)(PC[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHP)(H){4|H<1>}	H(CC[5]HP)	109.1985	0.851	2	109.1985	0.724	2	109.1985	0.724	2	108.8734	0.761	651	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C-4:C-2:	C-4:	C(C[5]C[5,6a]C[5,5]C)(COO)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(CN)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]C)(COO)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(CN){1|H<1>,5|C<3>}	H(CC[5]CH)	109.0120	0.007	2	109.0120	0.000	2	109.0120	0.000	2	108.5943	0.170	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,5]N[5]O)(COO)(H)2	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,5]N[5]O)(COO)(H)2	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCHH)(OH){1|O<1>,1|O<2>,2|C<3>}	H(CC[5]CH)	108.3780	0.000	1	108.3780	0.000	1	108.3780	0.000	1	108.5943	0.170	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(OH){1|O<1>,2|C<4>,3|H<1>}	H(CC[5]CH)	108.9905	0.016	2	108.9905	0.000	2	108.6845	0.125	4	108.5943	0.170	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(CCO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CCO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(OH){2|C<4>,3|H<1>}	H(CC[5]CH)	108.3785	0.004	2	108.3785	0.000	2	108.6845	0.125	4	108.5943	0.170	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C-4:	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(CN)	H(CC[5]CH)	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(CN){2|C<3>}	H(CC[5]CH)	108.5815	0.013	2	108.5815	0.000	2	108.6705	0.063	6	108.5943	0.170	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C-4:	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCHH)(CN)	H(CC[5]CH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCHH)(CN){2|H<1>,3|C<3>}	H(CC[5]CH)	108.7150	0.311	4	108.7150	0.097	4	108.6705	0.063	6	108.5943	0.170	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(OH){2|C<4>,2|H<1>}	H(CC[5]CH)	108.2267	0.025	4	108.2267	0.001	4	108.6402	0.184	11	108.5943	0.170	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCH)(H)2	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCH)(H)2	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)(OH){2|C<3>}	H(CC[5]CH)	109.0310	0.016	2	109.0310	0.000	2	108.6402	0.184	11	108.5943	0.170	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCO)(H)2	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCO)(H)2	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]O)(CCHH)(OH){1|H<1>,2|C<3>,2|C<4>}	H(CC[5]CH)	109.2470	0.025	2	109.2470	0.001	2	108.6402	0.184	11	108.5943	0.170	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH){1|C<4>,1|H<1>}	H(CC[5]CH)	108.4145	0.032	2	108.4145	0.001	2	108.6402	0.184	11	108.5943	0.170	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(COO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(COO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(OH){1|C<2>,1|C<3>,1|C<4>}	H(CC[5]CH)	108.7500	0.000	1	108.7500	0.000	1	108.6402	0.184	11	108.5943	0.170	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH)(OH){2|C<4>,5|H<1>}	H(CC[6a]C[5]H)	107.9230	0.017	2	107.9230	0.000	2	107.9300	0.000	3	108.5943	0.170	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]N[6a])(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]N[6a])(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(CC[6a]HH)(OH){3|C<4>,3|H<1>}	H(CC[6a]C[5]H)	107.9440	0.000	1	107.9440	0.000	1	107.9300	0.000	3	108.5943	0.170	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:N[5]-2:	C-4:	C(C[5]C[5]2N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]N)(C[5]O[5]O)(CC[6a]HH)(N[5]C[5])	H(CC[6a]C[5]H)	C(C[5]C[5]2N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]N)(C[5]O[5]O)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(CC[6a]C[5]H)	109.1590	0.025	2	109.1590	0.001	2	108.8680	0.113	4	108.5943	0.170	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:N[5]-2:	C-4:	C(C[5]C[5]2N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]2H)(C[5]O[5]O)(CC[6a]HH)(N[5]C[5])	H(CC[6a]C[5]H)	C(C[5]C[5]2N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]2H)(C[5]O[5]O)(CC[6a]HH)(N[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	H(CC[6a]C[5]H)	108.5770	0.030	2	108.5770	0.001	2	108.8680	0.113	4	108.5943	0.170	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]HO)(N[5]C[5]H)(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]HO)(N[5]C[5]H)(CC[6a]HH)(OH){1|C<3>,1|O<1>,1|O<2>}	H(CC[6a]C[5]H)	108.3155	1.039	2	108.3155	1.079	2	108.4635	0.268	6	108.5943	0.170	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5]O)(CC[6a]HH)(OH){1|C<4>,3|C<3>}	H(CC[6a]C[5]H)	108.3175	0.021	2	108.3175	0.000	2	108.4635	0.268	6	108.5943	0.170	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]S)(CC[6a]HH)(OC)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]S)(CC[6a]HH)(OC){1|H<1>}	H(CC[6a]C[5]H)	108.7575	0.032	2	108.7575	0.001	2	108.4635	0.268	6	108.5943	0.170	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[5]-3:C-4:O[5]-2:	C-4:	C(C[5]C[5]C[6]O[5])(C[6a]C[6a]2)(H)2	C[5](C[6]C[6,6a]N[6]H)(C[5]N[5]O)(CC[6a]HH)(O[5]C[5])	H(CC[6a]C[5]H)	C(C[5]C[5]C[6]O[5])(C[6a]C[6a]2)(H)2	C[5](C[6]C[6,6a]N[6]H)(C[5]N[5]O)(CC[6a]HH)(O[5]C[5]){1|C<4>,4|C<3>}	H(CC[6a]C[5]H)	108.4640	0.068	2	108.4640	0.005	2	108.4640	0.005	2	108.5943	0.170	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:N[5,5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5,5]C)(COO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,5]N[5,5]C)(COO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CCHH)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	H(CC[5]CH)	109.0602	0.208	5	108.9980	0.026	10	108.9307	0.073	11	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:N[5,5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5,5]C)(COO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,5]N[5,5]C)(COO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(CC[5]CH)	108.9358	0.073	5	108.9980	0.026	10	108.9307	0.073	11	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:N[5,5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5,5]C)(COO)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,5]N[5,5]C)(COO)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(CCHH)(COO){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,4|H<1>}	H(CC[5]CH)	108.2580	0.000	1	108.2580	0.000	1	108.9307	0.073	11	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:N[5,6]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5,6]C)(COO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,5]N[5,6]C)(COO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(CC[5]CH)	108.7405	0.025	2	108.7405	0.001	2	108.7405	0.001	2	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5]C)(CCH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,5]N[5]C)(CCH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(COO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]CH)	108.9950	0.000	2	108.9950	0.000	2	108.7513	0.140	25	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5]C)(COO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,5]N[5]C)(COO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(CC[5]CH)	108.6943	0.493	6	108.8426	0.165	11	108.7513	0.140	25	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5]C)(COO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,5]N[5]C)(COO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(CC[5]CH)	109.0206	0.191	5	108.8426	0.165	11	108.7513	0.140	25	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5]C)(COO)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,5]N[5]C)(COO)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCHH)(COO){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(CC[5]CH)	108.3430	0.230	6	108.3430	0.053	6	108.7513	0.140	25	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5]C)(COO)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,5]N[5]C)(COO)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(CCHH)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(CC[5]CH)	108.9640	0.017	2	108.9640	0.000	2	108.7513	0.140	25	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5]C)(COO)(H)2	C[5](C[5,5]C[5]3)(N[5]C[5]H)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,5]N[5]C)(COO)(H)2	C[5](C[5,5]C[5]3)(N[5]C[5]H)(CCHH)(COO){2|H<1>,2|O<1>,4|C<3>}	H(CC[5]CH)	108.8843	0.153	4	108.8843	0.023	4	108.7513	0.140	25	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6]C[5]C)(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(COO){1|C<3>,2|C<4>,2|H<1>}	H(CC[5]CH)	107.0040	0.665	2	107.0040	0.442	2	107.0040	0.442	2	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(COO){1|H<1>,2|C<3>}	H(CC[5]CH)	108.9685	0.009	2	108.9685	0.000	2	108.1381	0.786	9	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CCHH)(COS)	H(CC[5]CH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CCHH)(COS){1|C<3>,3|C<4>}	H(CC[5]CH)	108.7445	0.005	2	108.7445	0.000	2	108.1381	0.786	9	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(CCHH)(COO){1|C<3>,1|N<3>}	H(CC[5]CH)	106.6995	0.190	2	106.6995	0.036	2	108.1381	0.786	9	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CCO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]2C)(CCO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(COO){4|H<1>}	H(CC[5]CH)	108.1393	0.020	3	108.1393	0.000	3	108.1381	0.786	9	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CCC)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCC)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO){1|C<4>,3|H<1>}	H(CC[5]CH)	108.0375	0.005	2	108.0375	0.000	2	108.8987	0.555	21	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CCH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(COO){1|O<1>,2|H<1>}	H(CC[5]CH)	107.6780	1.312	2	107.6780	1.722	2	108.8987	0.555	21	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CCH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO){4|H<1>}	H(CC[5]CH)	109.4780	0.000	1	109.4780	0.000	1	108.8987	0.555	21	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CHO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCH)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CHO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCH){1|O<1>,2|H<1>}	H(CC[5]CH)	108.0675	0.005	2	108.0675	0.000	2	108.8987	0.555	21	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(COO)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]H)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(COO)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]H)(CCHH)(COO){2|C<3>,2|H<1>}	H(CC[5]CH)	109.2735	0.307	14	109.2735	0.094	14	108.8987	0.555	21	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,5]C[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5,5]N[5,5]C[3]C[5])(C[5]O[5]O)(CC[6a]HH)(NCH)	H(CC[6a]C[5]H)	C(C[5]C[5,5]C[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5,5]N[5,5]C[3]C[5])(C[5]O[5]O)(CC[6a]HH)(NCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CC[6a]C[5]H)	108.5915	0.030	2	108.5915	0.001	2	108.5915	0.001	2	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[5]C[5,5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]HH)(COO){2|H<1>,3|C<3>}	H(CC[6a]C[5]H)	109.1970	0.052	2	109.1970	0.003	2	108.7227	0.301	4	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[5]C[5,5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(CC[6a]HH)(COO){1|N<2>,2|H<1>,5|C<3>}	H(CC[6a]C[5]H)	108.2485	0.005	2	108.2485	0.000	2	108.7227	0.301	4	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6]C[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CC[6a]HH)(NCH)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CC[6a]HH)(NCH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.3240	0.039	3	108.3240	0.002	3	108.3240	0.002	3	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]H)(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]H)(CC[6a]HH)(COO){2|C<3>}	H(CC[6a]C[5]H)	108.3800	0.016	2	108.3800	0.000	2	108.5126	0.123	18	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]H)(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]H)(CC[6a]HH)(COO){2|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.0750	0.022	4	108.0750	0.000	4	108.5126	0.123	18	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(COO){1|C<3>,1|O<1>}	H(CC[6a]C[5]H)	108.6960	0.023	2	108.6960	0.001	2	108.5126	0.123	18	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HH)(COO){1|C<2>,1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.7490	0.075	2	108.7490	0.006	2	108.5126	0.123	18	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HH)(CCH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HH)(CCH){4|H<1>}	H(CC[6a]C[5]H)	108.3505	0.011	2	108.3505	0.000	2	108.5126	0.123	18	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HH)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.2380	0.028	2	109.2380	0.001	2	108.5126	0.123	18	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]S[5]H)(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]S[5]H)(CC[6a]HH)(COO){2|O<1>}	H(CC[6a]C[5]H)	108.5250	0.022	4	108.5250	0.000	4	108.5126	0.123	18	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:N-3:	C-4:	C(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH){1|O<1>,2|H<1>}	H(CC[6a]C[5]H)	108.7804	0.308	17	108.7804	0.095	17	108.7804	0.095	17	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(NHH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CHHN)(COO)	H(CC[5]HN)	C(C[5]C[5]2C)(NHH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CHHN)(COO){2|C<3>,3|H<1>}	H(CC[5]HN)	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:3:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(NC[6]H)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]H)(CHHN)(COO)	H(CC[5]HN)	C(C[5]C[5]N[5]C)(NC[6]H)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]H)(CHHN)(COO){1|C<3>}	H(CC[5]HN)	109.6415	0.076	2	109.6415	0.006	2	109.6415	0.006	2	108.6835	0.340	117	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(CCH)(H)2	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6]C)(CCH)(H)2	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3){2|C<4>,3|H<1>,4|C<3>}	H(CC[5]CH)	108.7040	0.017	2	108.7040	0.000	2	108.7040	0.000	2	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){2|C<3>,2|H<1>}	H(CC[5]CH)	108.9455	0.009	2	108.9455	0.000	2	108.5527	0.447	48	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CC[5]CH)	108.1505	1.596	2	108.1505	2.547	2	108.5527	0.447	48	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|S<4>,2|H<1>}	H(CC[5]CH)	109.2835	0.033	2	109.2835	0.001	2	108.5527	0.447	48	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,3|H<1>}	H(CC[5]CH)	109.3465	0.028	2	108.9861	0.085	8	108.5527	0.447	48	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,1|H<1>}	H(CC[5]CH)	108.8615	0.016	2	108.9861	0.085	8	108.5527	0.447	48	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,1|O<2>}	H(CC[5]CH)	109.1160	0.020	2	108.9861	0.085	8	108.5527	0.447	48	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){4|H<1>}	H(CC[5]CH)	108.6205	0.008	2	108.9861	0.085	8	108.5527	0.447	48	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[5]CH)	108.4365	0.028	2	107.2850	1.773	4	108.5527	0.447	48	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CC[5]CH)	106.1335	0.124	2	107.2850	1.773	4	108.5527	0.447	48	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]CH)	108.1110	0.013	2	108.1110	0.000	2	108.5527	0.447	48	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2{1|S<4>,2|H<1>}	H(CC[5]CH)	108.5951	0.180	10	108.5951	0.032	10	108.5527	0.447	48	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CC[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CC[5]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3){3|H<1>}	H(CC[5]CH)	109.1275	0.009	2	109.1275	0.000	2	108.5527	0.447	48	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CC[6]H)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CC[6]H)(H)2	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHH)(CH3){4|H<1>}	H(CC[5]CH)	108.5530	0.000	1	108.5530	0.000	1	108.5527	0.447	48	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CNO)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CNO)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<6>,1|C<3>}	H(CC[5]CH)	108.4179	0.365	10	108.4179	0.133	10	108.5527	0.447	48	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<5>,1|C<3>}	H(CC[5]CH)	108.8440	0.000	1	108.8440	0.000	1	108.5527	0.447	48	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[5]CH)	108.7425	0.006	2	108.7425	0.000	2	108.5527	0.447	48	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,1|S<4>}	H(CC[5]CH)	108.6255	0.037	2	108.6255	0.001	2	108.5527	0.447	48	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CCC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCHO)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCC)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCHO){1|C<2>,3|H<1>}	H(CC[5]CH)	107.7150	0.011	2	107.7150	0.000	2	108.5275	0.949	6	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CNO)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CNO)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(CH3){5|C<3>}	H(CC[5]CH)	108.9338	0.960	4	108.9338	0.921	4	108.5275	0.949	6	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[5]2C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|C<4>,2|H<1>}	H(CC[5]2H)	108.2855	0.028	2	108.2855	0.001	2	108.2855	0.001	2	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)2	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CC[6a]HH)2{1|C<4>}	H(CC[6a]C[5]H)	108.0277	1.957	4	108.0277	3.828	4	108.0277	3.828	4	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:N-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(NCS)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(CHHN)(CH3)	H(CC[5]HN)	C(C[5]C[5,5]C[5]C)(NCS)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(CHHN)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CC[5]HN)	109.9112	0.057	4	109.9112	0.003	4	109.9112	0.003	4	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:3:4:4:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CN[5]HH)(CH3)	H(CC[5]N[5]H)	C(C[5]C[5]2C)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CN[5]HH)(CH3){1|O<1>,3|C<3>}	H(CC[5]N[5]H)	109.1745	0.029	2	109.1745	0.001	2	109.1745	0.001	2	108.6144	0.693	68	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:Br-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(Br)(H)	C[5](C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])(H)	H(CC[6a]C[5]Br)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(Br)(H)	C[5](C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])(H){1|O<1>,2|H<1>}	H(CC[6a]C[5]Br)	108.1675	0.251	2	108.1675	0.063	2	108.1675	0.063	2	108.8798	0.298	47	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:Cl-1:H-1:	C[5]-4:C-4:N[5]-2:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	C[5](C[5]O[5]HH)(CC[6a]ClH)(N[5]C[5])(H)	H(CC[6a]C[5]Cl)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	C[5](C[5]O[5]HH)(CC[6a]ClH)(N[5]C[5])(H){1|O<1>}	H(CC[6a]C[5]Cl)	108.9850	0.000	1	108.9850	0.000	1	108.9850	0.000	1	108.8798	0.298	47	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5]N[5]2)(CC[6a]HH)(O[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5]N[5]2)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(CC[6a]C[5]H)	108.9980	0.362	4	108.9980	0.131	4	108.9980	0.131	4	108.8798	0.298	47	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)(O[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,3|O<2>,5|H<1>}	H(CC[6a]C[5]H)	108.8895	0.037	2	108.8895	0.001	2	108.8895	0.001	2	108.8798	0.298	47	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-4:N[5]-2:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]CH)(CC[6a]HH)(N[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]CH)(CC[6a]HH)(N[5]C[5])(H){1|O<1>}	H(CC[6a]C[5]H)	108.5780	0.000	1	108.5780	0.000	1	108.8749	0.126	16	108.8798	0.298	47	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-4:N[5]-2:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H){1|C<3>}	H(CC[6a]C[5]H)	109.0069	0.390	8	108.8947	0.128	15	108.8749	0.126	16	108.8798	0.298	47	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-4:N[5]-2:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H){1|C<6>}	H(CC[6a]C[5]H)	108.7666	0.292	7	108.8947	0.128	15	108.8749	0.126	16	108.8798	0.298	47	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|O<1>}	H(CC[6a]C[5]H)	109.5440	0.000	1	108.6278	0.870	5	108.6898	0.391	13	108.8798	0.298	47	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|C<3>}	H(CC[6a]C[5]H)	109.1780	0.040	2	108.6278	0.870	5	108.6898	0.391	13	108.8798	0.298	47	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>}	H(CC[6a]C[5]H)	107.6195	0.032	2	108.6278	0.870	5	108.6898	0.391	13	108.8798	0.298	47	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H){1|Cl<1>,1|H<1>,1|O<1>}	H(CC[6a]C[5]H)	108.9240	0.010	2	108.9440	0.013	6	108.6898	0.391	13	108.8798	0.298	47	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H){1|O<1>,2|C<4>}	H(CC[6a]C[5]H)	108.9540	0.146	4	108.9440	0.013	6	108.6898	0.391	13	108.8798	0.298	47	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]S[5])(H)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]S[5])(H){2|O<1>,3|C<3>}	H(CC[6a]C[5]H)	108.0825	0.026	2	108.0825	0.001	2	108.6898	0.391	13	108.8798	0.298	47	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:H-1:I-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)(I)	C[5](C[5]C[5]HH)(CC[6a]HI)(O[5]C[5])(H)	H(CC[6a]C[5]I)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)(I)	C[5](C[5]C[5]HH)(CC[6a]HI)(O[5]C[5])(H){1|O<1>,2|H<1>}	H(CC[6a]C[5]I)	108.0585	0.285	2	108.0585	0.081	2	108.0585	0.081	2	108.8798	0.298	47	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:1:	4:	C[5]-4:N[5a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(N[5a]C[5a]2)(H)2	C[5](C[5]O[5]CH)(CN[5a]HH)(O[5]C[5])(H)	H(CN[5a]C[5]H)	C(C[5]C[5]O[5]H)(N[5a]C[5a]2)(H)2	C[5](C[5]O[5]CH)(CN[5a]HH)(O[5]C[5])(H){2|C<4>}	H(CN[5a]C[5]H)	109.5964	0.132	7	109.5964	0.017	7	109.5964	0.017	7	108.8798	0.298	47	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:O-2:	C-4:	C(C[5]C[5]O[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(OO)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(OO){1|C<4>,1|O<2>,2|H<1>}	H(CC[6a]C[5]H)	108.9260	0.004	2	108.9260	0.000	2	108.7987	0.022	4	108.8917	0.034	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:O-2:	C-4:	C(C[5]C[5]O[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]O[5])(OO)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]O[5])(OO){2|C<4>}	H(CC[6a]C[5]H)	108.6715	0.029	2	108.6715	0.001	2	108.7987	0.022	4	108.8917	0.034	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:2:	4:	C[5]-4:N[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:O-2:	C-4:	C(C[5]C[5]O[5]O)(N[6a]C[6a]2)(H)2	C[5](C[5]C[5]HO)(CN[6a]HH)(O[5]C[5])(OC)	H(CN[6a]C[5]H)	C(C[5]C[5]O[5]O)(N[6a]C[6a]2)(H)2	C[5](C[5]C[5]HO)(CN[6a]HH)(O[5]C[5])(OC){1|C<4>,1|O<2>,2|H<1>}	H(CN[6a]C[5]H)	109.0775	0.016	2	109.0775	0.000	2	109.0775	0.000	2	108.8917	0.034	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[3,5]-4:C-4:O[5]-2:C-3:	C-4:	C(C[5]C[3,5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(COO)	H(CC[6a]C[5]H)	C(C[5]C[3,5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(COO){2|C<3>,3|H<1>}	H(CC[6a]C[5]H)	108.0860	0.004	2	108.0860	0.000	2	108.0860	0.000	2	108.5161	1.736	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:C-4:O[5]-2:C-3:	C-4:	C(C[5]C[5,5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5])(COO)	H(CC[6a]C[5]H)	C(C[5]C[5,5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5])(COO){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]C[5]H)	109.0280	0.049	2	109.0280	0.002	2	108.9780	0.009	3	108.5161	1.736	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:C-4:O[5]-2:C-3:	C-4:	C(C[5]C[5,5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5]2O[5])(CC[6a]HH)(O[5]N[5])(COO)	H(CC[6a]C[5]H)	C(C[5]C[5,5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5]2O[5])(CC[6a]HH)(O[5]N[5])(COO){1|N<2>,2|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.8780	0.000	1	108.8780	0.000	1	108.9780	0.009	3	108.5161	1.736	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C-4:N[5]-2:C-3:	C-4:	C(C[5]C[5,6]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[6,6a]C[6]O[5])(CC[6a]HH)(N[5]C[5])(COO)	H(CC[6a]C[5]H)	C(C[5]C[5,6]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[6,6a]C[6]O[5])(CC[6a]HH)(N[5]C[5])(COO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(CC[6a]C[5]H)	109.3145	0.021	2	109.3145	0.000	2	109.3145	0.000	2	108.5161	1.736	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-4:N[5]-2:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]CH)(CC[6a]HH)(N[5]C[5])(COO)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]CH)(CC[6a]HH)(N[5]C[5])(COO){3|C<3>}	H(CC[6a]C[5]H)	108.8438	0.168	4	108.8438	0.028	4	108.5782	0.374	5	108.5161	1.736	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-4:N[5]-2:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(N[5]C[5])(COO)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(N[5]C[5])(COO){1|C<3>,2|H<1>}	H(CC[6a]C[5]H)	107.5160	0.000	1	107.5160	0.000	1	108.5782	0.374	5	108.5161	1.736	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:C-3:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(CNO)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(CNO){1|O<1>,2|H<1>}	H(CC[6a]C[5]H)	106.3735	4.748	2	106.3735	22.546	2	108.2729	3.561	10	108.5161	1.736	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:C-3:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(COO)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(COO){2|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.5230	0.051	2	108.5230	0.003	2	108.2729	3.561	10	108.5161	1.736	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:2:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-4:O[5]-2:C-3:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]O[5]H)(CC[6a]HH)(O[5]C[5])(COO)	H(CC[6a]C[5]H)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]O[5]H)(CC[6a]HH)(O[5]C[5])(COO){1|H<1>,3|C<3>}	H(CC[6a]C[5]H)	108.8227	0.264	6	108.8227	0.070	6	108.2729	3.561	10	108.5161	1.736	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:Cl-1:H-1:	C[5]-4:C-4:N[5]-3:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	C[5](C[5]C[5]CH)(CC[6a]ClH)(N[5]C[5]H)(H)	H(CC[6a]C[5]Cl)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	C[5](C[5]C[5]CH)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>,2|H<1>}	H(CC[6a]C[5]Cl)	112.8440	0.000	1	112.8440	0.000	1	110.7505	5.292	4	110.7505	5.292	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:Cl-1:H-1:	C[5]-4:C-4:N[5]-3:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	C[5](C[5]C[5]HH)(CC[6a]ClH)(N[5]C[5]H)(H)	H(CC[6a]C[5]Cl)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	C[5](C[5]C[5]HH)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>,2|H<1>}	H(CC[6a]C[5]Cl)	111.1010	0.000	1	111.1010	0.000	1	110.7505	5.292	4	110.7505	5.292	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:Cl-1:H-1:	C[5]-4:C-4:N[5]-3:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	C[5](C[5]C[6a]C[5]H)(CC[6a]ClH)(N[5]C[5]H)(H)	H(CC[6a]C[5]Cl)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	C[5](C[5]C[6a]C[5]H)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|H<1>}	H(CC[6a]C[5]Cl)	107.4810	0.000	1	107.4810	0.000	1	110.7505	5.292	4	110.7505	5.292	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:3:1:	4:	C[5]-4:C[6a]-3:Cl-1:H-1:	C[5]-4:C-4:N[5]-3:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	C[5](C[5]O[5]HH)(CC[6a]ClH)(N[5]C[5]H)(H)	H(CC[6a]C[5]Cl)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	C[5](C[5]O[5]HH)(CC[6a]ClH)(N[5]C[5]H)(H){1|O<1>}	H(CC[6a]C[5]Cl)	111.5760	0.000	1	111.5760	0.000	1	110.7505	5.292	4	110.7505	5.292	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:3:4:	4:	C[5]-4:N-3:H-1:H-1:	C[4]-4:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[4]C[5]N[5])(NCH)(H)2	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHN)	H(CC[5]HN)	C(C[5]C[4]C[5]N[5])(NCH)(H)2	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHN){1|C<4>,1|O<1>,4|H<1>}	H(CC[5]HN)	108.8440	0.021	2	108.8440	0.000	2	108.8440	0.000	2	109.1074	0.041	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:3:4:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[5]2N[5])(NOO)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(CHHN)	H(CC[5]HN)	C(C[5]C[5]2N[5])(NOO)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(CHHN){1|O<2>,2|H<1>,3|C<4>}	H(CC[5]HN)	109.0315	0.029	2	109.0315	0.001	2	109.0315	0.001	2	109.1074	0.041	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:3:4:	4:	C[5]-4:N-3:H-1:H-1:	N[5,5]-4:C[5]-4:C[6a]-3:C-4:	C-4:	C(C[5]N[5,5]C[6a]C[5])(NCC)(H)2	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)(CHHN)	H(CC[5]HN)	C(C[5]N[5,5]C[6a]C[5])(NCC)(H)2	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)(CHHN){2|C<4>,3|C<3>,3|O<2>,4|H<1>}	H(CC[5]HN)	109.2770	0.085	4	109.2770	0.007	4	109.2770	0.007	4	109.1074	0.041	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:B[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(B[5]O[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(H)	H(CB[5]C[5]H)	C(C[5]C[5,6]C[5]H)(B[5]O[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(CB[5]C[5]H)	108.1665	0.011	2	108.1665	0.000	2	108.1665	0.000	2	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:Br-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCO)(Br)(H)	C[5](C[5]C[5]BrC)(C[5]C[5]HH)(CBrCH)(H)	H(CC[5]BrC)	C(C[5]C[5]2H)(CCO)(Br)(H)	C[5](C[5]C[5]BrC)(C[5]C[5]HH)(CBrCH)(H){4|H<1>}	H(CC[5]BrC)	108.3150	0.000	1	108.3150	0.000	1	108.0395	0.152	2	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:Br-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCO)(Br)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CBrCH)(H)	H(CC[5]BrC)	C(C[5]C[5]2H)(CCO)(Br)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CBrCH)(H){4|H<1>}	H(CC[5]BrC)	107.7640	0.000	1	107.7640	0.000	1	108.0395	0.152	2	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(COO)(H)2	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[3,5]C[5]H)(COO)(H)2	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCHH)(H){3|H<1>}	H(CC[5]CH)	109.2155	0.033	2	109.2155	0.001	2	109.2155	0.001	2	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(CCH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5,6]C[5]H)(CCH)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(CC[5]CH)	109.4705	0.070	2	109.4705	0.005	2	109.4705	0.005	2	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5,6]-4:S[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]S[5]H)(CCH)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(S[5]C[5]OO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5,6]S[5]H)(CCH)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(S[5]C[5]OO)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	H(CC[5]CH)	109.4197	0.133	3	109.4197	0.018	3	109.4197	0.018	3	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)(CCHH)(H){3|C<4>,5|H<1>}	H(CC[5]CH)	108.8760	1.440	3	108.8760	2.074	3	109.2165	1.449	26	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(CC[5]CH)	108.2830	0.010	2	108.2830	0.000	2	109.2165	1.449	26	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCO)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCO)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H){1|N<2>,2|H<1>,5|C<3>}	H(CC[5]CH)	108.6853	0.099	3	108.6853	0.010	3	109.2165	1.449	26	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[5]H)(H)2	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[5]H)(H)2	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>}	H(CC[5]CH)	109.9425	0.015	2	109.9425	0.000	2	109.2165	1.449	26	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[6a]O)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[6a]O)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HO)(CCHH)(H){1|N<3>,1|O<2>,3|H<1>}	H(CC[5]CH)	109.0405	0.026	2	109.0405	0.001	2	109.2165	1.449	26	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[6a]O)(H)2	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[6a]O)(H)2	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	H(CC[5]CH)	109.0730	0.007	2	109.0730	0.000	2	109.2165	1.449	26	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(COO)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(COO)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CC[5]CH)	109.5560	0.006	2	109.5560	0.000	2	109.2165	1.449	26	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(COO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(COO)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(CCHH)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(CC[5]CH)	110.6245	2.188	2	110.6245	4.790	2	109.2165	1.449	26	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(COO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(COO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHH)(H){2|C<4>,2|H<1>,2|O<2>}	H(CC[5]CH)	108.0700	0.245	2	108.0700	0.060	2	109.2165	1.449	26	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(COO)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(COO)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(CC[5]CH)	108.5210	0.042	2	108.5210	0.002	2	109.2165	1.449	26	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(COO)(H)2	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(COO)(H)2	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	H(CC[5]CH)	108.8120	0.048	2	108.8120	0.002	2	109.2165	1.449	26	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(COO)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(COO)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	H(CC[5]CH)	111.5495	2.026	2	111.5495	4.104	2	109.2165	1.449	26	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(CCH)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6,6]C[5]H)(CCH)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5]CH)	109.2630	0.000	1	109.2630	0.000	1	109.3830	0.079	5	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(CCH)(H)2	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6,6]C[5]H)(CCH)(H)2	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(C[5]C[5,5,6,6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5]CH)	109.4130	0.315	4	109.4130	0.099	4	109.3830	0.079	5	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[5a]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[5a]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(CCHH)(H){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]CH)	108.6313	0.299	3	108.6313	0.090	3	108.6313	0.090	3	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:F-1:	C-4:	C(C[5]C[5]2F)(CClC)(H)2	C[5](C[5]C[5]HH)2(CCHH)(F)	H(CC[5]CH)	C(C[5]C[5]2F)(CClC)(H)2	C[5](C[5]C[5]HH)2(CCHH)(F){4|H<1>}	H(CC[5]CH)	107.5645	1.315	2	107.5645	1.728	2	107.5645	1.728	2	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a]H)(CCHH)(H){1|N<3>,7|C<3>}	H(CC[5]CH)	109.3555	0.030	2	109.3555	0.001	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>}	H(CC[5]CH)	109.4530	0.010	2	109.4530	0.000	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.5465	1.333	6	108.5465	1.776	6	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CH)(CCHH)(H){1|C<3>,1|H<1>,1|S<4>}	H(CC[5]CH)	108.5110	0.000	1	108.5110	0.000	1	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|S<4>,2|H<1>}	H(CC[5]CH)	109.1870	0.052	2	109.1870	0.003	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H){2|H<1>}	H(CC[5]CH)	109.5610	0.021	2	109.5610	0.000	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CCHH)(H){3|C<3>}	H(CC[5]CH)	113.3140	5.436	2	113.3140	29.553	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HP)(CCHH)(H){1|H<1>,2|C<3>}	H(CC[5]CH)	109.1958	0.099	4	109.1958	0.010	4	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(H){1|C<4>,1|H<1>}	H(CC[5]CH)	108.8855	0.023	2	108.8855	0.001	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CH)	109.0920	0.000	1	109.0920	0.000	1	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CC)(C[5]O[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CC)(C[5]O[5]HH)(CCHH)(H){2|H<1>}	H(CC[5]CH)	107.3700	0.006	2	107.3700	0.000	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CC)2(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CC)2(CCHH)(H){1|O<1>,2|H<1>}	H(CC[5]CH)	109.0565	0.012	2	109.0565	0.000	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	H(CC[5]CH)	108.8100	0.016	2	108.7242	0.496	12	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.7071	0.777	10	108.7242	0.496	12	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|S<4>,2|H<1>}	H(CC[5]CH)	109.2920	0.058	2	109.2920	0.003	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	H(CC[5]CH)	108.0980	0.024	2	108.0980	0.001	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5,6]O)(H)2	C[5](C[5]C[5]CH)2(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[5,6]O)(H)2	C[5](C[5]C[5]CH)2(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	110.2775	0.022	2	110.2775	0.000	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6]H)(H)2	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6]H)(H)2	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	H(CC[5]CH)	109.0992	0.252	4	109.0992	0.063	4	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.7660	0.162	3	108.7660	0.026	3	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	H(CC[5]CH)	108.9570	0.008	4	108.9570	0.000	4	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|O<1>,2|C<3>}	H(CC[5]CH)	109.2230	0.016	2	109.2230	0.000	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHN)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CHN)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|S<4>,2|H<1>}	H(CC[5]CH)	108.9325	0.005	2	108.9325	0.000	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CNO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CNO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|H<1>}	H(CC[5]CH)	109.4290	1.236	4	109.4290	1.529	4	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CNO)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CNO)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H){1|Co<6>,1|C<3>,1|N<3>,2|C<4>}	H(CC[5]CH)	108.9829	0.403	9	108.9829	0.163	9	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[5]CH)	109.0490	0.021	2	109.0490	0.000	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CCHH)(H){1|H<1>,3|C<4>}	H(CC[5]CH)	108.8523	0.086	3	108.8523	0.007	3	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	H(CC[5]CH)	107.9620	0.045	4	108.3520	0.367	6	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|C<3>,3|H<1>}	H(CC[5]CH)	109.1320	0.052	2	108.3520	0.367	6	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CC)(C[5]S[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CC)(C[5]S[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	H(CC[5]CH)	108.8410	0.008	2	108.8410	0.000	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]CS)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]CS)(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.9925	0.153	4	108.9925	0.024	4	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<3>,3|H<1>}	H(CC[5]CH)	108.4800	0.049	2	108.4800	0.002	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H){1|O<2>,3|H<1>}	H(CC[5]CH)	109.8450	0.180	2	109.8450	0.032	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H){1|C<3>,2|H<1>}	H(CC[5]CH)	111.0265	1.231	2	109.3592	2.129	6	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H){1|S<4>,2|H<1>}	H(CC[5]CH)	108.9695	0.029	2	109.3592	2.129	6	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CH)(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.0815	0.028	2	109.3592	2.129	6	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|C<3>,1|H<1>,1|S<4>}	H(CC[5]CH)	109.2105	0.173	4	109.2105	0.030	4	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]S[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	H(CC[5]CH)	109.3405	0.011	2	109.3405	0.000	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHH)(H){1|C<4>,2|H<1>}	H(CC[5]CH)	108.1130	0.014	2	108.1130	0.000	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]CH)(CCHH)(H){1|C<4>,2|H<1>}	H(CC[5]CH)	108.8245	0.050	2	108.8245	0.003	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHH)(H){1|H<1>,3|C<3>}	H(CC[5]CH)	108.8140	0.007	2	108.8140	0.000	2	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H){1|Co<5>,1|C<3>,1|N<3>,2|C<4>}	H(CC[5]CH)	109.2725	0.026	2	109.0498	0.066	4	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]CC)(CCHH)(H){1|Co<6>,1|C<3>,1|N<3>,2|C<4>}	H(CC[5]CH)	108.8270	0.008	2	109.0498	0.066	4	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HO)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.8570	0.000	1	108.8570	0.000	1	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]N[5]CH)(C[5]N[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]N[5]CH)(C[5]N[5]HH)(CCHH)(H){2|C<3>}	H(CC[5]CH)	108.6220	0.000	1	108.6220	0.000	1	109.0200	1.044	119	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){1|C<3>,3|H<1>}	H(CC[5]CH)	108.6321	0.240	9	108.7599	0.127	11	108.7599	0.127	11	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){4|H<1>}	H(CC[5]CH)	109.3350	0.017	2	108.7599	0.127	11	108.7599	0.127	11	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	H(CC[5]2H)	108.3275	0.189	2	108.3275	0.036	2	108.3275	0.036	2	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(H){4|H<1>}	H(CC[5]2H)	108.6595	0.035	2	108.6595	0.001	2	108.6595	0.001	2	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[6]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6]HH)(H)	H(CC[5]C[6]H)	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[6]HH)(H){4|H<1>}	H(CC[5]C[6]H)	107.8530	0.008	2	107.8530	0.000	2	108.4688	0.506	4	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[6]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[5](C[5]C[5]HH)2(CC[6]HH)(H)	H(CC[5]C[6]H)	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[5](C[5]C[5]HH)2(CC[6]HH)(H){4|H<1>}	H(CC[5]C[6]H)	109.0845	0.053	2	109.0845	0.003	2	108.4688	0.506	4	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	B[3,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]B[3,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](B[3,5]C[3,5]C[6a]B[3])(C[5]C[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]B[3,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](B[3,5]C[3,5]C[6a]B[3])(C[5]C[5]HH)(CC[6a]HH)(H){1|N<3>,2|H<1>,4|C<3>}	H(CC[6a]C[5]H)	109.0930	0.085	2	109.0930	0.007	2	109.0930	0.007	2	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5]C[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[3,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[3,5]C[6a]O[3])(C[5]C[5]HH)(CC[6a]HH)(H){1|H<1>,4|C<3>}	H(CC[6a]C[5]H)	108.6200	0.031	2	108.6200	0.001	2	108.6200	0.001	2	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[4,5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[4,5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[4,5,5]C[4,5,5]C[5]O[4])(C[5]C[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[4,5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[4,5,5]C[4,5,5]C[5]O[4])(C[5]C[5]HH)(CC[6a]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(CC[6a]C[5]H)	109.1755	0.037	4	109.1755	0.001	4	109.1755	0.001	4	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[4,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[4,5]N[4,5]C[4]H)(C[5]S[4,5,5]C[5]H)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[4,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[4,5]N[4,5]C[4]H)(C[5]S[4,5,5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|C<5>,1|C<6>,1|O<2>,2|H<1>,2|O<1>}	H(CC[6a]C[5]H)	108.5045	0.050	2	108.5045	0.003	2	108.5045	0.003	2	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CC[6a]HH)(H){2|C<4>,2|H<1>,2|O<1>}	H(CC[6a]C[5]H)	108.9825	0.021	2	108.9825	0.000	2	108.9825	0.000	2	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(CC[6a]HH)(H){1|O<1>,2|H<1>,3|C<4>}	H(CC[6a]C[5]H)	108.7050	0.035	2	108.7050	0.001	2	108.7050	0.001	2	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){1|O<1>,2|H<1>,3|C<3>}	H(CC[6a]C[5]H)	108.8010	0.033	4	108.8010	0.001	4	109.0084	0.077	21	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[6a]C[5]H)	109.1650	0.096	2	109.1620	0.004	4	109.0084	0.077	21	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,2|C<4>,3|H<1>}	H(CC[6a]C[5]H)	109.1590	0.051	2	109.1620	0.004	4	109.0084	0.077	21	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]C[5]H)	109.2980	0.216	4	109.2980	0.047	4	109.0084	0.077	21	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]C[5]H)	108.9815	0.021	2	108.9815	0.000	2	109.0084	0.077	21	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<4>,6|H<1>}	H(CC[6a]C[5]H)	109.0705	0.018	2	109.0705	0.000	2	109.0084	0.077	21	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,3|H<1>}	H(CC[6a]C[5]H)	108.4090	0.051	2	108.4090	0.003	2	109.0084	0.077	21	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,3|H<1>}	H(CC[6a]C[5]H)	109.0703	0.156	3	109.0703	0.024	3	109.0084	0.077	21	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:S[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]HH)(S[5]C[5,5]OO)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]HH)(S[5]C[5,5]OO)(CC[6a]HH)(H){2|C<4>,2|H<1>}	H(CC[6a]C[5]H)	109.1975	0.021	2	109.1975	0.000	2	109.1975	0.000	2	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	Ge[5]-4:Ge[5]-4:C-4:H-1:	C-4:	C(C[5]Ge[5]2H)(C[6a]C[6a]2)(H)2	C[5](Ge[5]C[5x3,6x5,20x6]CC)2(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]Ge[5]2H)(C[6a]C[6a]2)(H)2	C[5](Ge[5]C[5x3,6x5,20x6]CC)2(CC[6a]HH)(H){6|B<6>}	H(CC[6a]C[5]H)	109.2705	0.015	2	109.2705	0.000	2	109.2705	0.000	2	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(H)2	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HH)(H)	H(CC[6a]C[5]H)	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(H)2	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,4|H<1>}	H(CC[6a]C[5]H)	108.2498	0.148	4	108.2498	0.022	4	108.2498	0.022	4	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(NCH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5,5]C[5]H)(NCH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(H){2|C<4>,2|H<1>,2|O<2>}	H(CC[5]HN)	109.8720	0.021	2	109.8720	0.000	2	109.3192	0.409	4	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(NOO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5,5]C[5]H)(NOO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(H){2|C<4>,2|H<1>,2|O<2>}	H(CC[5]HN)	108.7665	0.054	2	108.7665	0.003	2	109.3192	0.409	4	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(NCC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5,6]C[5]H)(NCC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(CC[5]HN)	108.2570	0.000	1	108.6814	0.057	5	108.6814	0.057	5	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(NCC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5,6]C[5]H)(NCC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHHN)(H){2|C<4>,5|H<1>}	H(CC[5]HN)	108.7875	0.034	4	108.6814	0.057	5	108.6814	0.057	5	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[5,5]HO)(C[5]C[5]CH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[5,5]HO)(C[5]C[5]CH)(CHHN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[5]HN)	109.8130	0.052	2	109.8130	0.003	2	109.1594	0.154	32	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	H(CC[5]HN)	109.1302	0.014	4	109.1302	0.000	4	109.1594	0.154	32	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,4|H<1>}	H(CC[5]HN)	109.2850	0.033	2	109.2850	0.001	2	109.1594	0.154	32	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NCS)(H)2	C[5](C[5]C[5]HH)2(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NCS)(H)2	C[5](C[5]C[5]HH)2(CHHN)(H){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HN)	109.3905	0.018	4	109.3905	0.000	4	109.1594	0.154	32	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NCS)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NCS)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,2|H<1>}	H(CC[5]HN)	109.2505	0.008	2	109.2505	0.000	2	109.1594	0.154	32	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NOO)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CN)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NOO)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CN)(CHHN)(H){1|H<1>,3|C<3>}	H(CC[5]HN)	109.0894	0.647	8	109.0894	0.419	8	109.1594	0.154	32	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NOO)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NOO)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]HN)(CHHN)(H){1|H<1>,3|C<3>}	H(CC[5]HN)	108.9662	0.199	6	108.9662	0.040	6	109.1594	0.154	32	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NOO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NOO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CHHN)(H){1|O<1>}	H(CC[5]HN)	108.8165	0.032	2	108.8165	0.001	2	109.1594	0.154	32	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NOO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NOO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CHHN)(H){1|O<1>}	H(CC[5]HN)	109.0875	0.005	2	109.0875	0.000	2	109.1594	0.154	32	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NCH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NCH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CHHN)(H){1|N<3>,3|H<1>}	H(CC[5]HN)	108.5190	5.193	2	108.5190	26.967	2	108.5190	26.967	2	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N-3:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NAlC)(H)2	C[5](N[5]C[5]AlC)(C[5]C[5]HH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NAlC)(H)2	C[5](N[5]C[5]AlC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	H(CC[5]HN)	110.2285	0.047	2	110.2285	0.002	2	110.1048	0.018	10	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N-3:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NCuC)(H)2	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NCuC)(H)2	C[5](N[5]C[5]CuC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	H(CC[5]HN)	110.0739	0.132	8	110.0739	0.017	8	110.1048	0.018	10	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)(H)	H(CC[5]N[5]H)	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)(H){2|H<1>}	H(CC[5]N[5]H)	109.6030	0.064	2	109.6030	0.004	2	109.6030	0.004	2	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[5]HH)(H)	H(CC[5]N[5]H)	C(C[5]C[5]N[5]H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[5]HH)(H){4|H<1>}	H(CC[5]N[5]H)	109.5895	0.021	2	109.5895	0.000	2	109.5895	0.000	2	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]HH)(H)	H(CC[5]N[6]H)	C(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CN[6]HH)(H){4|H<1>}	H(CC[5]N[6]H)	108.7525	0.481	6	108.7525	0.232	6	108.7525	0.232	6	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:N[6a]-3:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(N[6a]C[6a]2)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CN[6a]HH)(H)	H(CN[6a]C[5]H)	C(C[5]C[5]N[5]H)(N[6a]C[6a]2)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CN[6a]HH)(H){1|C<4>,1|O<2>,2|H<1>}	H(CN[6a]C[5]H)	108.7845	0.005	2	108.7845	0.000	2	108.7845	0.000	2	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:1:	4:	C[5]-4:S-3:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(SRu2)(H)2	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SRu2)(H)2	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(CHHS)(H){4|H<1>}	H(CC[5]HS)	108.9545	0.692	4	108.9545	0.479	4	108.9545	0.479	4	109.0336	0.795	297	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(CCH)(H)2	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(CCHH)(OSi)	H(CC[5]CH)	C(C[5]C[5,5]C[5]O)(CCH)(H)2	C[5](C[5,5]C[5,5,6]O[5]O)(C[5]C[5,6]HH)(CCHH)(OSi){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(CC[5]CH)	108.6300	0.102	4	108.6300	0.010	4	108.6300	0.010	4	108.1735	1.455	41	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(CCC)(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CCC)(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]C[6]H)(CCHH)(OH){1|O<2>,3|H<1>,4|C<4>}	H(CC[5]CH)	108.3008	0.249	4	108.3008	0.062	4	107.7949	3.237	8	108.1735	1.455	41	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(CCC)(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CCC)(H)2	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)(CCHH)(OH){2|C<3>,2|C<4>,3|H<1>}	H(CC[5]CH)	108.5235	0.025	2	108.5235	0.001	2	107.7949	3.237	8	108.1735	1.455	41	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CCH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5]CH)	106.0545	3.785	2	106.0545	14.327	2	107.7949	3.237	8	108.1735	1.455	41	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-2:	C-4:	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CN)	H(CC[5]CH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CN){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CH)	108.7875	0.018	2	108.7875	0.000	2	108.7875	0.000	2	108.1735	1.455	41	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCC)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCC)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(OH){4|H<1>}	H(CC[5]CH)	108.3145	0.005	2	108.3145	0.000	2	107.8859	1.103	17	108.1735	1.455	41	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH){1|C<4>,3|H<1>}	H(CC[5]CH)	107.2438	1.377	4	107.2438	1.896	4	107.8859	1.103	17	108.1735	1.455	41	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCC)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCC)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH){1|O<2>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.0900	0.150	2	108.1460	0.015	4	107.8859	1.103	17	108.1735	1.455	41	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCC)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCC)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]HO)(CCHH)(OH){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]CH)	108.2020	0.095	2	108.1460	0.015	4	107.8859	1.103	17	108.1735	1.455	41	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHH)(OH){1|C<3>,2|H<1>}	H(CC[5]CH)	106.4450	1.493	2	106.4450	2.230	2	107.8859	1.103	17	108.1735	1.455	41	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(OC)	H(CC[5]CH)	C(C[5]C[5]2O)(CCH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(OC){1|H<1>,1|N<3>}	H(CC[5]CH)	108.2887	0.051	3	108.2887	0.003	3	107.8859	1.103	17	108.1735	1.455	41	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCH)(H)2	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCH)(H)2	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CCHH)(OH){1|H<1>,1|N<3>}	H(CC[5]CH)	109.0580	0.058	2	109.0580	0.003	2	107.8859	1.103	17	108.1735	1.455	41	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[5]C[5,5]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CC[6a]HH)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[6a]C[5]H)	108.0900	2.253	2	108.0900	5.075	2	108.3708	2.023	6	108.1735	1.455	41	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[5]C[5,5]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)(CC[6a]HH)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[6a]C[5]H)	108.5112	1.265	4	108.5112	1.601	4	108.3708	2.023	6	108.1735	1.455	41	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]N[6a])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]HH)(OH)	H(CC[6a]C[5]H)	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]N[6a])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]HH)(OH){2|C<4>,5|H<1>}	H(CC[6a]C[5]H)	109.0675	0.071	2	109.0675	0.005	2	109.0675	0.005	2	108.1735	1.455	41	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:2:	4:	C[5]-4:N-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(NOO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(OH)	H(CC[5]HN)	C(C[5]C[5,5]C[5]O)(NOO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CHHN)(OH){2|C<4>,2|H<1>,2|O<2>}	H(CC[5]HN)	109.1205	0.029	2	109.1205	0.001	2	109.1205	0.001	2	108.1735	1.455	41	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(COO)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CCHH)(CCH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(COO)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CCHH)(CCH){1|C<3>,2|C<4>,3|H<1>}	H(CC[5]CH)	108.3265	0.028	2	108.3265	0.001	2	108.3265	0.001	2	108.2728	0.275	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CCO)	H(CC[5]CH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CCO){1|C<3>,3|H<1>}	H(CC[5]CH)	108.1290	0.066	8	108.1290	0.004	8	108.0923	0.009	10	108.2728	0.275	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:3:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(COO){1|C<3>,1|H<1>}	H(CC[5]CH)	107.9455	0.019	2	107.9455	0.000	2	108.0923	0.009	10	108.2728	0.275	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CC[6a]HH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(CC[6a]C[5]H)	107.6873	0.249	10	107.6873	0.062	10	107.6873	0.062	10	108.2728	0.275	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CC[6a]HH)(COO){4|H<1>}	H(CC[6a]C[5]H)	108.8832	0.204	6	108.8832	0.042	6	108.8832	0.042	6	108.2728	0.275	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:3:	4:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CC[6a]HH)(COO)	H(CC[6a]C[5]H)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CC[6a]HH)(COO){4|H<1>}	H(CC[6a]C[5]H)	108.7407	0.127	4	108.7407	0.016	4	108.7407	0.016	4	108.2728	0.275	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:3:	4:	C[5]-4:N-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,5,6]C[5]C)(NOO)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(CHHN)(COO)	H(CC[5]HN)	C(C[5]C[5,5,6]C[5]C)(NOO)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]HH)(CHHN)(COO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]HN)	109.1310	0.007	2	109.1310	0.000	2	109.1310	0.000	2	108.2728	0.275	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:3:	4:	C[5]-4:N-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(NOO)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHHN)(COO)	H(CC[5]HN)	C(C[5]C[5,5]C[5]C)(NOO)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHHN)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(CC[5]HN)	108.5750	0.000	1	108.5750	0.000	1	108.5750	0.000	1	108.2728	0.275	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:B[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(B[5]O[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(CH3)	H(CB[5]C[5]H)	C(C[5]C[5,6]C[5]C)(B[5]O[5]2)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CB[5]C[5]H)	107.8570	0.000	1	107.8570	0.000	1	107.8570	0.000	1	108.6787	0.391	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(CCH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CCHH)(CCHO)	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CCH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CCHH)(CCHO){2|C<4>,4|H<1>}	H(CC[5]CH)	107.3240	0.856	2	107.3240	0.732	2	107.3240	0.732	2	108.6787	0.391	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CCH)(H)2	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCH)(H)2	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	H(CC[5]CH)	108.7905	0.134	2	108.7905	0.018	2	108.7905	0.018	2	108.6787	0.391	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(CHHO)	H(CC[5]CH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(CHHO){1|C<4>,3|H<1>}	H(CC[5]CH)	108.2775	0.013	2	108.2775	0.000	2	108.4380	0.205	29	108.6787	0.391	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6a]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6a]HH)(CCHH){4|H<1>}	H(CC[5]CH)	108.1800	0.000	1	108.1800	0.000	1	108.4380	0.205	29	108.6787	0.391	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CHN)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CHN)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(CH3){1|S<4>,2|H<1>}	H(CC[5]CH)	108.5715	0.021	2	108.5715	0.000	2	108.4380	0.205	29	108.6787	0.391	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CNO)(H)2	C[5](C[5]C[5]HH)2(CCHH)(CHHN)	H(CC[5]CH)	C(C[5]C[5]2C)(CNO)(H)2	C[5](C[5]C[5]HH)2(CCHH)(CHHN){4|H<1>}	H(CC[5]CH)	108.7120	0.025	4	108.7120	0.001	4	108.4380	0.205	29	108.6787	0.391	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CNO)(H)2	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CNO)(H)2	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3){1|Co<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[5]CH)	108.5068	0.163	10	108.5068	0.027	10	108.4380	0.205	29	108.6787	0.391	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[5]HH)2(CCHH)(CHHN)	H(CC[5]CH)	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[5]HH)2(CCHH)(CHHN){4|H<1>}	H(CC[5]CH)	108.5700	0.083	2	108.5700	0.007	2	108.4380	0.205	29	108.6787	0.391	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3){1|Co<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[5]CH)	109.2505	0.022	2	108.9368	0.131	4	108.4380	0.205	29	108.6787	0.391	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[5]N[5]C)(C[5]C[5]CH)(CCHH)(CH3){1|Co<6>,1|H<1>,1|N<3>,2|C<4>}	H(CC[5]CH)	108.6230	0.016	2	108.9368	0.131	4	108.4380	0.205	29	108.6787	0.391	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]CH)	107.5050	0.157	4	107.5050	0.025	4	108.4380	0.205	29	108.6787	0.391	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(NCS)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CHHN)(CH3)	H(CC[5]HN)	C(C[5]C[5,5]C[5]C)(NCS)(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CHHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CC[5]HN)	108.7040	0.007	2	108.7040	0.000	2	108.7040	0.000	2	108.6787	0.391	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(NCH)(H)2	C[5](C[5]C[5]HH)2(CCHH)(CHHN)	H(CC[5]HN)	C(C[5]C[5]2C)(NCH)(H)2	C[5](C[5]C[5]HH)2(CCHH)(CHHN){4|H<1>}	H(CC[5]HN)	108.6568	0.030	6	108.6568	0.001	6	109.0012	0.133	14	108.6787	0.391	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(NCS)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(CH3)	H(CC[5]HN)	C(C[5]C[5]2C)(NCS)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHHN)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HN)	108.9890	0.008	2	108.9890	0.000	2	109.0012	0.133	14	108.6787	0.391	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(NCS)(H)2	C[5](C[5]C[5]HH)2(CHHN)(CH3)	H(CC[5]HN)	C(C[5]C[5]2C)(NCS)(H)2	C[5](C[5]C[5]HH)2(CHHN)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]HN)	109.4507	0.068	4	109.4507	0.005	4	109.0012	0.133	14	108.6787	0.391	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(NHH)(H)2	C[5](C[5]C[5,6a]HH)2(CHHN)(CH3)	H(CC[5]HN)	C(C[5]C[5]2C)(NHH)(H)2	C[5](C[5]C[5,6a]HH)2(CHHN)(CH3){2|C<3>}	H(CC[5]HN)	109.1475	0.378	2	109.1475	0.143	2	109.0012	0.133	14	108.6787	0.391	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:O-3:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(OCoH)(H)2	C[5](N[5]C[5]CoH)(C[5]O[5]HH)(CHHO)2	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OCoH)(H)2	C[5](N[5]C[5]CoH)(C[5]O[5]HH)(CHHO)2{1|C<3>,1|H<1>}	H(CC[5]HO)	109.4775	0.006	2	109.4775	0.000	2	109.6328	0.069	6	108.6787	0.391	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:O-3:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(ONiH)(H)2	C[5](N[5]C[5]NiH)(C[5]O[5]HH)(CHHO)2	H(CC[5]HO)	C(C[5]C[5]N[5]C)(ONiH)(H)2	C[5](N[5]C[5]NiH)(C[5]O[5]HH)(CHHO)2{1|C<3>,1|H<1>}	H(CC[5]HO)	109.4490	0.011	2	109.4490	0.000	2	109.6328	0.069	6	108.6787	0.391	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:1:1:	4:4:4:4:	4:	C[5]-4:O-3:H-1:H-1:	N[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(OZnH)(H)2	C[5](N[5]C[5]ZnH)(C[5]O[5]HH)(CHHO)2	H(CC[5]HO)	C(C[5]C[5]N[5]C)(OZnH)(H)2	C[5](N[5]C[5]ZnH)(C[5]O[5]HH)(CHHO)2{1|C<3>,1|H<1>}	H(CC[5]HO)	109.9720	0.031	2	109.9720	0.001	2	109.6328	0.069	6	108.6787	0.391	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	2:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	O[5]-2:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](O[5]C[5,5])(C[5]C[5]H)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](O[5]C[5,5])(C[5]C[5]H)(CC[6a]HO)(H){1|C<4>,1|H<1>,1|N<3>}	H(CC[6a]C[5]O)	106.1805	0.042	2	106.1805	0.002	2	107.7663	1.201	7	107.7663	1.201	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	2:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	O[5]-2:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](O[5]C[5,6])(C[5]C[5]H)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](O[5]C[5,6])(C[5]C[5]H)(CC[6a]HO)(H){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]C[5]O)	108.4006	0.201	5	108.4006	0.040	5	107.7663	1.201	7	107.7663	1.201	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	2:3:4:3:	4:	C[5]-4:C[6a]-3:O-2:H-1:	O[5]-2:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OC[6])(H)	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]HO)(COO)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OC[6])(H)	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]HO)(COO){2|C<4>,2|H<1>}	H(CC[6a]C[5]O)	109.7950	0.000	1	109.7950	0.000	1	109.7950	0.000	1	109.7950	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:2:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|Br<1>,1|O<1>}	H(CC[5]CO)	106.2680	0.000	1	106.2680	0.000	1	106.2680	0.000	1	106.2680	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:2:4:2:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5a]-3:O[5]-2:C-4:N[5]-2:	C-4:	C(C[5]C[5a]N[5]O[5])(C[6a]C[6a]2)(OH)(H)	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(CC[6a]HO)(N[5]C[5])	H(CC[6a]C[5]O)	C(C[5]C[5a]N[5]O[5])(C[6a]C[6a]2)(OH)(H)	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(CC[6a]HO)(N[5]C[5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]C[5]O)	107.4530	0.000	1	107.4530	0.000	1	107.4530	0.000	1	107.4530	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:2:4:4:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CNO)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(CC3)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CNO)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(CC3){1|C<4>,1|O<1>}	H(CC[5]CO)	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:3:4:	4:	C[5]-4:C-3:O-2:H-1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(CCO)(OS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHO)	H(CC[5]CO)	C(C[5]C[5,6a]C[5]N)(CCO)(OS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHO){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CO)	108.9530	0.000	1	108.9530	0.000	1	108.9530	0.000	1	108.2708	1.136	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:3:4:	4:	C[5]-4:C-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CCH)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO)	H(CC[5]CO)	C(C[5]C[5,6a]C[6a]C[5])(CCH)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO){1|C<4>,3|H<1>,4|C<3>}	H(CC[5]CO)	109.2680	0.000	1	109.2680	0.000	1	109.0225	0.121	2	108.2708	1.136	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:3:4:	4:	C[5]-4:C-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(ON[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO)	H(CC[5]CO)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(ON[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO){1|C<4>,3|H<1>,4|C<3>}	H(CC[5]CO)	108.7770	0.000	1	108.7770	0.000	1	109.0225	0.121	2	108.2708	1.136	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:C-2:H-1:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,4|C<3>}	H(CC[6a]C[5]C)	106.7100	0.000	1	106.7100	0.000	1	107.1780	0.438	2	108.2708	1.136	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:C-2:H-1:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,4|C<3>}	H(CC[6a]C[5]C)	107.6460	0.000	1	107.6460	0.000	1	107.1780	0.438	2	108.2708	1.136	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(CCO)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,6a]N[5]H)(CCO)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHO)(H){1|H<1>,1|O<1>,4|C<3>}	H(CC[5]CO)	107.0165	0.804	2	107.0165	0.646	2	107.0165	0.646	2	108.0923	1.311	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:4:1:	4:	C[5]-4:C-3:O-2:H-1:	N[5,6,6]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,6,6]C[5]H)(CCH)(OC)(H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]N[5,6,6]C[5]H)(CCH)(OC)(H)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>}	H(CC[5]CO)	106.4950	0.000	1	106.4950	0.000	1	106.4950	0.000	1	108.0923	1.311	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:4:1:	4:	C[5]-4:C-3:O-2:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(CC[5]CO)	108.7725	0.186	2	108.8700	0.335	6	108.8700	0.335	6	108.0923	1.311	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:4:1:	4:	C[5]-4:C-3:O-2:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(CC[5]CO)	109.1040	0.528	2	108.8700	0.335	6	108.8700	0.335	6	108.0923	1.311	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:4:1:	4:	C[5]-4:C-3:O-2:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(CC[5]CO)	108.7335	1.094	2	108.8700	0.335	6	108.8700	0.335	6	108.0923	1.311	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:N-2:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NS)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NS)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H){1|H<1>,1|O<1>}	H(CC[6a]C[5]N)	106.4770	0.000	1	106.4770	0.000	1	106.4770	0.000	1	108.0923	1.311	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C-4:	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(F)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(F){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]O)	108.4480	0.206	4	108.4480	0.042	4	108.4480	0.042	4	108.0923	1.311	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HO)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[6a]C[5]O)	108.5280	0.718	3	108.5280	0.516	3	108.5706	0.280	5	108.0923	1.311	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]C[5]O)	108.4430	0.000	1	108.4430	0.000	1	108.5706	0.280	5	108.0923	1.311	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HO)(H){1|H<1>,2|C<3>,2|O<1>}	H(CC[6a]C[5]O)	108.8260	0.000	1	108.8260	0.000	1	108.5706	0.280	5	108.0923	1.311	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HO)(H){2|C<3>,2|H<1>}	H(CC[6a]C[5]O)	104.9460	0.000	1	104.9460	0.000	1	104.9460	0.000	1	108.0923	1.311	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]HO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	H(CC[6a]C[5]O)	108.1220	0.000	1	108.1220	0.000	1	108.1220	0.000	1	108.0923	1.311	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:C-2:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]C)	106.4367	1.969	4	106.4367	3.875	4	106.4367	3.875	4	107.7103	3.033	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OO)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OO){2|C<3>,2|H<1>}	H(CC[6a]C[5]O)	109.3960	0.000	1	109.3960	0.000	1	108.7292	0.239	5	107.7103	3.033	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OP)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OH)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OP)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]O)	108.5625	0.366	4	108.5625	0.134	4	108.7292	0.239	5	107.7103	3.033	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:4:3:	4:	C[5]-4:C-3:N-2:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(COO)(NC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH)	H(CC[5]CN)	C(C[5]C[5,6a]C[5]N)(COO)(NC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CN)	109.5080	1.049	2	109.5080	1.101	2	109.5080	1.101	2	108.7897	2.099	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:4:3:	4:	C[5]-4:C[6a]-3:C-2:H-1:	C[5]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CC)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]CH)(COO)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CC)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]CH)(COO){1|C<3>,1|O<1>}	H(CC[6a]C[5]C)	107.3530	0.000	1	107.3530	0.000	1	107.3530	0.000	1	108.7897	2.099	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:4:4:	4:	C[5]-4:C-3:C-2:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(COO)(CN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6a]C[5]C)(COO)(CN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CC)	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	108.4614	10.451	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3){1|C<4>,1|H<1>}	H(CC[6a]C[5]O)	115.4520	0.000	1	115.4520	0.000	1	108.4988	12.530	6	108.4614	10.451	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3){2|C<4>}	H(CC[6a]C[5]O)	107.1082	1.076	5	107.1082	1.159	5	108.4988	12.530	6	108.4614	10.451	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C-4:N[5]-2:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(N[5]S[5])(H)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(N[5]S[5])(H){1|H<1>,2|C<3>,2|O<1>}	H(CC[6a]C[5]O)	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	108.4113	4.109	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(O[5]C[5])(H)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(O[5]C[5])(H){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]C[5]O)	110.8445	0.334	2	110.8445	0.112	2	110.8445	0.112	2	108.4113	4.109	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|H<1>,1|O<1>}	H(CC[6a]C[5]O)	106.3085	3.004	2	106.3085	9.027	2	107.1207	6.492	3	108.4113	4.109	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]C)(CC[6a]HO)(O[5]C[5])(H)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]C)(CC[6a]HO)(O[5]C[5])(H){1|O<1>}	H(CC[6a]C[5]O)	108.7450	0.000	1	108.7450	0.000	1	107.1207	6.492	3	108.4113	4.109	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-3:C-4:S[5]-2:H-1:	C-4:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]N[5]O)(CC[6a]HO)(S[5]C[5])(H)	H(CC[6a]C[5]O)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]N[5]O)(CC[6a]HO)(S[5]C[5])(H){1|C<4>,1|O<1>}	H(CC[6a]C[5]O)	108.5350	0.000	1	108.5350	0.000	1	108.5350	0.000	1	108.4113	4.109	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	N[5]-3:C-4:S[5]-2:H-1:	C-4:	C(C[5]N[5]S[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](N[5]C[5]C)(CC[6a]HO)(S[5]C[5])(H)	H(CC[6a]C[5]O)	C(C[5]N[5]S[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](N[5]C[5]C)(CC[6a]HO)(S[5]C[5])(H){4|H<1>}	H(CC[6a]C[5]O)	108.8370	0.000	1	108.8370	0.000	1	108.8370	0.000	1	108.4113	4.109	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:S-2:H-1:	C[5]-3:C-4:S[5]-2:H-1:	C-4:	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(SC[6a])(H)	C[5](C[5]N[5]O)(CC[6a]HS)(S[5]C[5])(H)	H(CC[6a]C[5]S)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(SC[6a])(H)	C[5](C[5]N[5]O)(CC[6a]HS)(S[5]C[5])(H){1|S<1>}	H(CC[6a]C[5]S)	106.7600	0.000	1	106.7600	0.000	1	106.7600	0.000	1	108.4113	4.109	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:4:2:4:	4:	C[5]-4:C[6a]-3:N-2:H-1:	C[5]-3:C-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NS)(H)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NS)(H)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3){1|C<3>}	H(CC[6a]C[5]N)	104.6830	0.000	1	104.6830	0.000	1	104.6830	0.000	1	104.6830	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:4:4:1:	4:	C[5]-4:C-3:O-2:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(COO)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHO)(H)	H(CC[5]CO)	C(C[5]N[5,6]C[5]H)(COO)(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]CO)	109.1490	0.000	1	109.1490	0.000	1	109.1490	0.000	1	108.5125	0.810	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HO)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]C[5]O)	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	108.5125	0.810	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:4:4:2:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-3:C-4:C-4:N[5]-2:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]N[5]O)(CC[6a]HH)(CC[6a]HO)(N[5]C[5])	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]N[5]O)(CC[6a]HH)(CC[6a]HO)(N[5]C[5]){1|C<4>,1|N<3>}	H(CC[6a]C[5]O)	108.7680	0.000	1	108.7680	0.000	1	108.7680	0.000	1	108.7680	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:4:4:4:	4:	C[5]-4:C[6a]-3:C-2:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]CH)(CH3)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]C)	107.1500	0.000	1	107.1500	0.000	1	107.1500	0.000	1	107.7853	1.293	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:4:4:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HO)(CH3)	H(CC[6a]C[5]O)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]HO)(CH3){1|H<1>,3|C<3>}	H(CC[6a]C[5]O)	109.0980	0.000	1	109.0980	0.000	1	109.0980	0.000	1	107.7853	1.293	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	3:4:4:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HN)(CC[6a]HO)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HN)(CC[6a]HO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]C[5]O)	107.1080	0.000	1	107.1080	0.000	1	107.1080	0.000	1	107.7853	1.293	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:2:4:1:	4:	C[5]-4:C-3:C-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCC)(CC)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCC)(CC)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H){2|C<4>}	H(CC[5]CC)	108.0230	0.000	1	108.0230	0.000	1	108.0230	0.000	1	108.5115	0.936	30	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:2:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CNO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5]O[5]H)(CNO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(CC[5]CO)	108.6080	0.000	1	108.6080	0.000	1	108.6080	0.000	1	108.5115	0.936	30	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:2:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	H(CC[5]CO)	106.4520	0.000	1	106.4520	0.000	1	108.4924	1.020	24	108.5115	0.936	30	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:2:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CO)	109.4820	0.000	1	109.4820	0.000	1	108.4924	1.020	24	108.5115	0.936	30	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:2:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>,2|H<1>}	H(CC[5]CO)	107.8260	0.000	1	107.8260	0.000	1	108.4924	1.020	24	108.5115	0.936	30	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:2:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(CC[5]CO)	108.0000	0.928	5	108.0000	0.862	5	108.4924	1.020	24	108.5115	0.936	30	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:2:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>}	H(CC[5]CO)	109.8660	0.000	1	109.8660	0.000	1	108.4924	1.020	24	108.5115	0.936	30	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:2:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCO)(OC)(H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCO)(OC)(H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H){2|C<4>}	H(CC[5]CO)	109.7100	0.000	1	109.7100	0.000	1	108.4924	1.020	24	108.5115	0.936	30	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:2:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]O)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[6a]O)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	H(CC[5]CO)	108.5357	0.432	6	108.5357	0.187	6	108.4924	1.020	24	108.5115	0.936	30	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:2:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CN[5]O)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CN[5]O)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	H(CC[5]CO)	107.9000	0.000	1	107.9000	0.000	1	108.4924	1.020	24	108.5115	0.936	30	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:2:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CN[5]O)(OS)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CN[5]O)(OS)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(CC[5]CO)	111.3690	0.000	1	111.3690	0.000	1	108.4924	1.020	24	108.5115	0.936	30	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:2:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(COO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(COO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	H(CC[5]CO)	108.2833	0.142	3	108.2833	0.020	3	108.4924	1.020	24	108.5115	0.936	30	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:2:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(COO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(COO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){2|H<1>,2|O<2>}	H(CC[5]CO)	108.3830	0.197	3	108.3830	0.039	3	108.4924	1.020	24	108.5115	0.936	30	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:2:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[6a]C[5]O)	109.0820	0.116	2	109.0820	0.013	2	109.2320	0.074	3	108.5115	0.936	30	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:2:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){2|H<1>,2|O<2>}	H(CC[6a]C[5]O)	109.5320	0.000	1	109.5320	0.000	1	109.2320	0.074	3	108.5115	0.936	30	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:2:4:1:	4:	C[5]-4:N-3:C-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NCO)(CC)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(NCO)(CC)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(CC[5]CN)	107.2000	0.000	1	107.2000	0.000	1	107.2000	0.000	1	108.5115	0.936	30	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:2:4:4:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(COO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(COO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,3|H<1>}	H(CC[5]CO)	108.6327	0.689	3	108.6327	0.474	3	108.6327	0.474	3	108.6327	0.474	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C-3:N-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(COO)(NN)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]N[5]H)(COO)(NN)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHN)(H){1|C<3>,3|H<1>}	H(CC[5]CN)	108.8420	0.000	1	108.8420	0.000	1	108.8420	0.000	1	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCH)(OC)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5]C[5]H)(CCH)(OC)(H)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[5]C)(CCHO)(H){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]CO)	106.5280	0.000	1	106.5280	0.000	1	106.5280	0.000	1	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCH)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHO)(H){1|C<4>,3|H<1>}	H(CC[5]CO)	108.0460	0.000	1	108.0460	0.000	1	108.1690	0.017	3	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCO)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCO)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	H(CC[5]CO)	108.2305	0.105	2	108.2305	0.011	2	108.1690	0.017	3	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCH)(OC)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCH)(OC)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H){1|O<1>}	H(CC[5]CO)	109.0335	0.019	2	109.0335	0.000	2	108.8704	0.259	5	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6]C)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CC[6]C)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){2|C<4>}	H(CC[5]CO)	108.7650	0.000	1	108.7650	0.000	1	108.8704	0.259	5	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]C)(OC)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CC[6a]C)(OC)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){2|C<4>}	H(CC[5]CO)	109.4480	0.000	1	109.4480	0.000	1	108.8704	0.259	5	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]C)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CC[6a]C)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){2|C<4>}	H(CC[5]CO)	108.0720	0.000	1	108.0720	0.000	1	108.8704	0.259	5	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[6]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6]C[6]S[6])(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HO)(H)	H(CC[5]C[6]O)	C(C[5]C[5]N[5]H)(C[6]C[6]S[6])(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HO)(H){2|C<4>}	H(CC[5]C[6]O)	109.3490	0.000	1	109.3490	0.000	1	109.3490	0.000	1	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]CH)(H){1|O<1>,2|C<4>}	H(CC[6a]C[5]C)	107.6870	0.000	1	107.6870	0.000	1	107.6870	0.000	1	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>,2|H<1>}	H(CC[6a]C[5]O)	108.8750	0.000	1	108.8750	0.000	1	108.6195	0.611	23	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,2|H<1>}	H(CC[6a]C[5]O)	108.9570	0.000	1	108.9570	0.000	1	108.6195	0.611	23	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HO)(H){4|H<1>}	H(CC[6a]C[5]O)	108.6740	0.000	1	108.6740	0.000	1	108.6195	0.611	23	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]C[5]O)	108.8075	0.211	2	108.8075	0.045	2	108.6195	0.611	23	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>}	H(CC[6a]C[5]O)	109.4290	0.000	1	109.4290	0.000	1	108.6195	0.611	23	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>}	H(CC[6a]C[5]O)	109.3590	0.000	1	109.3590	0.000	1	108.6195	0.611	23	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>,2|H<1>}	H(CC[6a]C[5]O)	109.6420	0.000	1	109.3300	0.195	2	108.6195	0.611	23	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){4|H<1>}	H(CC[6a]C[5]O)	109.0180	0.000	1	109.3300	0.195	2	108.6195	0.611	23	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,2|H<1>}	H(CC[6a]C[5]O)	107.9555	1.118	2	107.9555	1.250	2	108.6195	0.611	23	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]C[5]O)	107.6428	0.807	5	107.6428	0.651	5	108.6195	0.611	23	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,2|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.7320	0.000	1	108.7320	0.000	1	108.6195	0.611	23	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CC[6a]HO)(H){1|O<1>,2|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.7400	0.000	1	108.7400	0.000	1	108.6195	0.611	23	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|C<4>,1|O<1>}	H(CC[6a]C[5]O)	108.6290	0.000	1	108.6290	0.000	1	108.6195	0.611	23	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>}	H(CC[6a]C[5]O)	109.0630	0.000	1	109.0630	0.000	1	108.6195	0.611	23	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>}	H(CC[6a]C[5]O)	109.1303	0.338	3	109.1303	0.114	3	108.6195	0.611	23	108.5575	0.621	35	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:2:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(COO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(OH)	H(CC[5]CO)	C(C[5]C[5]2O)(COO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(OH){1|C<4>,1|O<1>}	H(CC[5]CO)	108.6135	0.326	2	108.6135	0.106	2	108.6135	0.106	2	108.6135	0.106	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	H(CC[5]2O)	C(C[5]C[5]2C)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){1|H<1>}	H(CC[5]2O)	103.6830	0.000	1	103.6830	0.000	1	105.3005	5.233	2	105.6147	2.912	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:4:	4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HO)(CH3)	H(CC[5]2O)	C(C[5]C[5]2C)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HO)(CH3){1|C<4>,2|H<1>}	H(CC[5]2O)	106.9180	0.000	1	106.9180	0.000	1	105.3005	5.233	2	105.6147	2.912	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:3:4:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(CH3)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(CH3){1|O<1>,2|H<1>}	H(CC[6a]C[5]O)	106.2430	0.000	1	106.2430	0.000	1	106.2430	0.000	1	105.6147	2.912	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:N-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC)(H)	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H)	H(CC[6a]C[5]N)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC)(H)	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H){4|H<1>}	H(CC[6a]C[5]N)	109.0820	0.000	1	109.0820	0.000	1	109.3347	0.535	3	108.3054	4.470	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:N-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NN)(H)	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H)	H(CC[6a]C[5]N)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NN)(H)	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H){1|C<3>,1|P<4>}	H(CC[6a]C[5]N)	109.4610	0.987	2	109.4610	0.974	2	109.3347	0.535	3	108.3054	4.470	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C-4:N[5]-2:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]N[5]CH)(CC[6a]HO)(N[5]C[5])(H)	H(CC[6a]C[5]O)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]N[5]CH)(CC[6a]HO)(N[5]C[5])(H){2|C<3>}	H(CC[6a]C[5]O)	108.4600	0.000	1	108.4600	0.000	1	108.4600	0.000	1	108.3054	4.470	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,3|H<1>}	H(CC[6a]C[5]O)	108.6220	0.000	1	108.6220	0.000	1	107.8421	6.487	7	108.3054	4.470	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]CH)(CC[6a]HO)(O[5]C[5])(H)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]CH)(CC[6a]HO)(O[5]C[5])(H){1|O<1>,2|H<1>}	H(CC[6a]C[5]O)	105.4295	4.533	2	105.4295	20.550	2	107.8421	6.487	7	108.3054	4.470	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	H(CC[6a]C[5]O)	108.8150	1.377	2	108.8150	1.897	2	107.8421	6.487	7	108.3054	4.470	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]N[5]HH)(CC[6a]HO)(O[5]C[5])(H)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]N[5]HH)(CC[6a]HO)(O[5]C[5])(H){1|C<3>,1|O<1>}	H(CC[6a]C[5]O)	109.1450	0.000	1	109.1450	0.000	1	107.8421	6.487	7	108.3054	4.470	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]HH)(CC[6a]HO)(O[5]C[5])(H)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]HH)(CC[6a]HO)(O[5]C[5])(H){1|O<1>}	H(CC[6a]C[5]O)	108.6390	0.000	1	108.6390	0.000	1	107.8421	6.487	7	108.3054	4.470	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:2:4:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]HO)(CC[6a]HO)(O[5]C[5])(CH3)	H(CC[6a]C[5]O)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5]HO)(CC[6a]HO)(O[5]C[5])(CH3){1|C<3>,1|H<1>,1|O<1>}	H(CC[6a]C[5]O)	108.7860	0.000	1	108.7860	0.000	1	108.7860	0.000	1	108.7860	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(CCH)(OC)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5,6]C[5]H)(CCH)(OC)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CCHO)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(CC[5]CO)	106.6563	0.306	3	106.6563	0.094	3	106.6563	0.094	3	108.1687	1.203	34	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5,5]-4:N[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5,5]H)(COO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5]N[5,5]H)(COO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]C)(CCHO)(H){1|O<2>,3|C<4>,4|H<1>}	H(CC[5]CO)	108.8120	0.000	1	108.8120	0.000	1	108.1890	0.776	2	108.1687	1.203	34	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5,5]-4:N[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5,5]H)(COO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5]N[5,5]H)(COO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5]H)(CCHO)(H){1|O<2>,3|C<4>,4|H<1>}	H(CC[5]CO)	107.5660	0.000	1	107.5660	0.000	1	108.1890	0.776	2	108.1687	1.203	34	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(COO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(COO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6]C)(CCHO)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(CC[5]CO)	107.4740	0.173	2	107.4740	0.030	2	107.7823	0.300	3	108.1687	1.203	34	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(COO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(COO)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){2|C<4>,5|H<1>}	H(CC[5]CO)	108.3990	0.000	1	108.3990	0.000	1	107.7823	0.300	3	108.1687	1.203	34	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCC)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCC)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CO)	108.0970	0.544	4	108.5541	0.418	13	108.5059	1.193	23	108.1687	1.203	34	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCC)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCC)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	H(CC[5]CO)	108.7572	0.604	9	108.5541	0.418	13	108.5059	1.193	23	108.1687	1.203	34	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCC)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCC)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	H(CC[5]CO)	107.1838	0.337	4	107.1838	0.113	4	108.5059	1.193	23	108.1687	1.203	34	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(OC)(H)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCH)(OC)(H)	C[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]HH)(CCHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CC[5]CO)	111.7970	0.000	1	111.7970	0.000	1	108.5059	1.193	23	108.1687	1.203	34	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H){4|H<1>}	H(CC[5]CO)	109.2405	0.930	2	109.2405	0.865	2	108.5059	1.193	23	108.1687	1.203	34	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(OC)(H)	C[5](C[5]C[5]HH)2(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCH)(OC)(H)	C[5](C[5]C[5]HH)2(CCHO)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]CO)	107.9160	0.000	1	107.9160	0.000	1	108.5059	1.193	23	108.1687	1.203	34	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(H){1|O<2>,3|H<1>}	H(CC[5]CO)	108.1870	0.000	1	108.1870	0.000	1	108.5059	1.193	23	108.1687	1.203	34	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(OSi)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(COO)(OSi)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCHO)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CO)	109.3160	0.000	1	109.3160	0.000	1	108.5059	1.193	23	108.1687	1.203	34	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:N-2:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NS)(H)	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HN)(H)	H(CC[6a]C[5]N)	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NS)(H)	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HN)(H){2|C<3>,4|H<1>}	H(CC[6a]C[5]N)	107.2545	0.474	2	107.2545	0.225	2	107.2545	0.225	2	108.1687	1.203	34	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H)	H(CC[6a]C[5]O)	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CC[6a]HO)(H){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	H(CC[6a]C[5]O)	107.8970	0.000	1	107.8970	0.000	1	107.8970	0.000	1	108.1687	1.203	34	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:4:2:	4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCC)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHO)(OH)	H(CC[5]CO)	C(C[5]C[5]2O)(CCC)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHO)(OH){1|C<4>,1|H<1>}	H(CC[5]CO)	105.2320	0.001	2	105.2320	0.000	2	105.2320	0.000	2	107.1740	3.386	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:4:2:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:C-2:	C-4:	C(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]HO)(CN)	H(CC[6a]C[5]O)	C(C[5]C[5,5]C[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[6a]HO)(CN){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[6a]C[5]O)	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	107.1740	3.386	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:2:1:	4:4:4:2:	4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]HO)(OH)	H(CC[6a]C[5]O)	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]2)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]HO)(OH){1|C<3>,1|C<4>,3|H<1>}	H(CC[6a]C[5]O)	108.1535	0.613	2	108.1535	0.376	2	108.1535	0.376	2	107.1740	3.386	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:2:4:1:	4:	C[5]-4:C-3:C-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(COO)2(H)	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(COO)2(H)	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(CCCH)(H){4|C<3>}	H(CC[5]CC)	108.1100	0.000	1	108.1100	0.000	1	108.1100	0.000	1	108.5467	2.846	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:2:4:1:	4:	C[5]-4:C-3:C-3:H-1:	N[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]N[5]O[5]H)(CC[6a]O)2(H)	C[5](N[5]C[5]C)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]N[5]O[5]H)(CC[6a]O)2(H)	C[5](N[5]C[5]C)(O[5]C[5])(CCCH)(H){1|O<1>,2|H<1>}	H(CC[5]CC)	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	108.5467	2.846	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:2:4:1:	4:	C[5]-4:C-3:N-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(COO)(NCH)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(COO)(NCH)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CCHN)(H){1|C<3>,1|O<1>}	H(CC[5]CN)	107.4540	0.000	1	107.4540	0.000	1	107.4540	0.000	1	108.5467	2.846	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:2:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CC[5]CH)(H)	H(CC[5]2C)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CC[5]CH)(H){1|O<2>,3|C<4>}	H(CC[5]2C)	110.4950	0.000	1	110.4950	0.000	1	108.0105	12.345	2	108.5467	2.846	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:2:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]O[5])(CCC)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H)	H(CC[5]2C)	C(C[5]C[5]O[5]H)(C[5]C[5]O[5])(CCC)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H){1|C<4>,1|O<1>}	H(CC[5]2C)	105.5260	0.000	1	105.5260	0.000	1	108.0105	12.345	2	108.5467	2.846	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:2:4:1:	4:	C[5]-4:N-3:C-3:H-1:	C[5,6a]-3:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(NNiC)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5,6a]N[5]H)(NNiC)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CCHN)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CN)	109.1285	0.163	2	109.1285	0.027	2	109.1285	0.027	2	108.5467	2.846	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:2:4:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH){2|C<3>}	H(CC[6a]C[5]C)	107.0330	0.000	1	107.0330	0.000	1	107.0330	0.000	1	107.0330	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:3:4:	4:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]N[5])(COO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6a]C[6a]N[5])(COO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCCH){1|O<1>,3|H<1>,4|C<3>}	H(CC[5]CC)	107.9755	0.047	2	107.9755	0.002	2	107.9755	0.002	2	106.8632	1.531	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:3:4:	4:	C[5]-4:C-3:C-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(CC[6a]O)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCCH)	H(CC[5]CC)	C(C[5]C[6a]C[5]N[5])(CC[6a]O)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]CC)	106.8980	0.000	1	106.8980	0.000	1	107.9007	0.758	3	106.8632	1.531	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:3:4:	4:	C[5]-4:C-3:C-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(CC[6a]O)2(H)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCCH)	H(CC[5]CC)	C(C[5]C[6a]C[5]N[5])(CC[6a]O)2(H)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]CC)	108.4020	0.088	2	108.4020	0.008	2	107.9007	0.758	3	106.8632	1.531	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]O)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]O)(CC[6a]CH){1|H<1>,2|C<4>,4|C<3>}	H(CC[6a]C[5]C)	106.9950	0.000	1	106.9950	0.000	1	106.9950	0.000	1	106.8632	1.531	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH){1|S<4>,3|H<1>,4|C<3>}	H(CC[6a]C[5]C)	105.2240	0.000	1	105.2240	0.000	1	105.5970	0.107	3	106.8632	1.531	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]CH){3|H<1>,4|C<3>}	H(CC[6a]C[5]C)	105.7835	0.069	2	105.7835	0.005	2	105.5970	0.107	3	106.8632	1.531	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]2H)	H(CC[6a]2C[5])	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]2H){1|C<4>,3|H<1>,4|C<3>}	H(CC[6a]2C[5])	104.9845	0.374	2	104.9845	0.140	2	104.9845	0.140	2	106.8632	1.531	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(NCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HN)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(NCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HN){3|H<1>,5|C<3>}	H(CC[6a]C[5]N)	106.8650	0.000	1	106.8650	0.000	1	106.8650	0.000	1	106.8632	1.531	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(NCH)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5]H)(CC[6a]HN)	H(CC[6a]C[5]N)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(NCH)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5]H)(CC[6a]HN){1|O<1>,2|C<3>,2|H<1>}	H(CC[6a]C[5]N)	107.5890	0.321	2	107.5890	0.103	2	107.5890	0.103	2	106.8632	1.531	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:3:4:	4:	C[5]-4:N-3:C-3:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5a]C[5])(NC[6a]H)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHN)	H(CC[5]CN)	C(C[5]C[5,6a]C[5a]C[5])(NC[6a]H)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHN){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(CC[5]CN)	108.2150	0.000	1	108.2150	0.000	1	108.2150	0.000	1	106.8632	1.531	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:3:4:	4:	C[5]-4:N[6]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(N[6]C[6]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(CN[6]CH)	H(CC[5]N[6]C)	C(C[5]C[5,6a]C[5]2)(N[6]C[6]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(CN[6]CH){2|H<1>,2|O<1>,4|C<3>}	H(CC[5]N[6]C)	106.1450	0.000	1	106.1450	0.000	1	106.1450	0.000	1	106.8632	1.531	16	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]2H)(COO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6a]2H)(COO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H){1|C<4>,1|H<1>,4|C<3>}	H(CC[5]CC)	106.6760	0.000	1	106.6760	0.000	1	106.6760	0.000	1	107.1321	1.598	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CCC)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6a]C[5]H)(CCC)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H){2|C<3>,2|H<1>}	H(CC[5]CC)	104.4460	0.000	1	104.4460	0.000	1	104.4460	0.000	1	107.1321	1.598	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(COO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6a]N[5]H)(COO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]CC)	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	107.1321	1.598	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]CH)(H)	H(CC[5]2C)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]CH)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]2C)	106.7390	0.000	1	106.7390	0.000	1	106.7390	0.000	1	107.1321	1.598	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C-4:	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(Cl)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(Cl){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]N)	106.9230	0.000	1	106.9230	0.000	1	106.9230	0.000	1	107.1321	1.598	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C-4:	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]N)	107.6730	0.000	1	107.6730	0.000	1	107.3170	0.311	5	107.1321	1.598	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C-4:	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NC[6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]N)	106.3670	0.000	1	106.3670	0.000	1	107.3170	0.311	5	107.1321	1.598	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C-4:	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]N)	107.6250	0.160	2	107.5150	0.049	3	107.3170	0.311	5	107.1321	1.598	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C-4:	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F){1|Cl<1>,1|C<4>,2|C<3>}	H(CC[6a]C[5]N)	107.2950	0.000	1	107.5150	0.049	3	107.3170	0.311	5	107.1321	1.598	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H){1|H<1>,1|O<1>}	H(CC[6a]C[5]N)	106.4080	0.000	1	106.4080	0.000	1	106.4570	0.005	2	107.1321	1.598	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H){1|H<1>,1|O<1>}	H(CC[6a]C[5]N)	106.5060	0.000	1	106.5060	0.000	1	106.4570	0.005	2	107.1321	1.598	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:1:	4:	C[5]-4:N-3:C-3:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(NNiC)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5,6a]N[5]H)(NNiC)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHN)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CN)	109.7310	0.000	1	109.7310	0.000	1	109.7310	0.000	1	107.1321	1.598	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OC)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OC){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]C)	107.1700	0.000	1	107.1700	0.000	1	106.3464	0.266	8	106.3533	0.597	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]C)	106.1838	0.447	6	106.1838	0.200	6	106.3464	0.266	8	106.3533	0.597	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]C)	106.4980	0.000	1	106.4980	0.000	1	106.3464	0.266	8	106.3533	0.597	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C-4:	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CCC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5])	H(CC[6a]C[5]C)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CCC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	H(CC[6a]C[5]C)	105.3290	0.000	1	105.3290	0.000	1	106.6680	3.586	2	106.3533	0.597	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C-4:	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5])	H(CC[6a]C[5]C)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[6a]C[5]C)	108.0070	0.000	1	108.0070	0.000	1	106.6680	3.586	2	106.3533	0.597	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(NCS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HN)(OC)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(NCS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HN)(OC){1|H<1>,3|C<3>}	H(CC[6a]C[5]N)	105.7790	0.000	1	105.7790	0.000	1	105.7790	0.000	1	106.3533	0.597	11	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:3:	4:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(CCO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(NCH)	H(CC[5]CC)	C(C[5]C[5,6a]C[5]N)(CCO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(NCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CC)	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	107.1850	0.766	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:3:	4:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(COO)	H(CC[5]CC)	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(COO){1|H<1>,2|C<3>,2|O<1>}	H(CC[5]CC)	108.6835	0.315	2	108.6835	0.099	2	108.6835	0.099	2	107.1850	0.766	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:3:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(CC[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]CH)(CCC)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]2C)(C[6a]C[6a]2)(CC[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]CH)(CCC){2|H<1>,4|C<3>}	H(CC[6a]C[5]C)	106.9620	0.000	1	106.9620	0.000	1	106.9620	0.000	1	107.1850	0.766	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:3:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]C)	106.7115	0.243	2	106.7115	0.059	2	106.6805	0.198	6	107.1850	0.766	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:3:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(CN[5a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(CN[5a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]C)	106.6650	0.556	4	106.6650	0.309	4	106.6805	0.198	6	107.1850	0.766	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]N[5]N)(C[6a]C[6a]2)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]2H)(NC[6a]H)	H(CC[6a]2C[5])	C(C[5]C[5,6a]N[5]N)(C[6a]C[6a]2)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]2H)(NC[6a]H){1|H<1>,1|O<1>,2|C<3>}	H(CC[6a]2C[5])	105.9430	0.000	1	105.9430	0.000	1	105.9430	0.000	1	107.1850	0.766	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:3:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(NOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(NCH)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(NOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(NCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]N)	106.9130	0.000	1	106.9130	0.000	1	106.9130	0.000	1	107.1850	0.766	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:3:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NCH)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]HN)(COO)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NCH)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]HN)(COO){2|C<3>}	H(CC[6a]C[5]N)	107.7030	0.338	2	107.7030	0.114	2	107.7030	0.114	2	107.1850	0.766	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:4:	4:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(COO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	H(CC[5]CC)	C(C[5]C[5,6a]C[5]C)(COO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CC)	107.2550	0.000	1	107.2550	0.000	1	107.2550	0.000	1	106.3063	1.020	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]C)	105.0965	0.363	2	105.0965	0.132	2	105.6643	1.033	3	106.3063	1.020	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]C)	106.8000	0.000	1	106.8000	0.000	1	105.6643	1.033	3	106.3063	1.020	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CC[6a]HN)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CC[6a]HN){2|C<3>,2|H<1>}	H(CC[6a]C[5]N)	106.3360	0.000	1	106.3360	0.000	1	106.3360	0.000	1	106.3063	1.020	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NCH)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HN)(CH3)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NCH)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HN)(CH3){1|H<1>,1|O<1>}	H(CC[6a]C[5]N)	107.2540	0.000	1	107.2540	0.000	1	107.2540	0.000	1	106.3063	1.020	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>}	H(CC[6a]C[5]C)	107.3490	0.000	1	107.3490	0.000	1	107.1615	0.070	2	106.8668	0.590	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5]C)(CC[6a]CH)(O[5]C[5])(H)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5]C)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,1|O<1>}	H(CC[6a]C[5]C)	106.9740	0.000	1	106.9740	0.000	1	107.1615	0.070	2	106.8668	0.590	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:C-3:H-1:	N[5]-3:C-4:O[5]-2:H-1:	C-4:	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(COO)(H)	C[5](N[5]C[5]S)(CC[6a]CH)(O[5]C[5])(H)	H(CC[6a]C[5]C)	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(COO)(H)	C[5](N[5]C[5]S)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,3|H<1>}	H(CC[6a]C[5]C)	106.7490	0.000	1	106.7490	0.000	1	106.7490	0.000	1	106.8668	0.590	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:C-3:H-1:	N[5]-3:C-4:S[5]-2:H-1:	C-4:	C(C[5]N[5]S[5]H)(C[6a]C[6a]2)(COO)(H)	C[5](N[5]C[5]S)(CC[6a]CH)(S[5]C[5])(H)	H(CC[6a]C[5]C)	C(C[5]N[5]S[5]H)(C[6a]C[6a]2)(COO)(H)	C[5](N[5]C[5]S)(CC[6a]CH)(S[5]C[5])(H){4|H<1>}	H(CC[6a]C[5]C)	108.0140	0.000	1	108.0140	0.000	1	108.0140	0.000	1	106.8668	0.590	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(H)	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])(H)	H(CC[6a]2C[5])	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(H)	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])(H){1|O<1>,3|C<3>}	H(CC[6a]2C[5])	105.8750	0.000	1	105.8750	0.000	1	105.8750	0.000	1	106.8668	0.590	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]N)(H)	C[5](C[5]C[5]N[5])(CC[6a]HN)(O[5]C[5])(H)	H(CC[6a]C[5]N)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]N)(H)	C[5](C[5]C[5]N[5])(CC[6a]HN)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>}	H(CC[6a]C[5]N)	106.2400	0.000	1	106.2400	0.000	1	106.2400	0.000	1	106.8668	0.590	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:2:3:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C-4:O[5]-2:C-3:	C-4:	C(C[5]C[5,6a]O[5]C)(C[6a]C[6a]2)(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]CH)(O[5]C[5])(COO)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]O[5]C)(C[6a]C[6a]2)(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]CH)(O[5]C[5])(COO){1|H<1>,1|O<1>,2|C<3>}	H(CC[6a]C[5]C)	106.8420	0.000	1	106.8420	0.000	1	106.8420	0.000	1	106.8420	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:2:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-3:C-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]O[5]O)(CC[6a]CH)(N[5]C[5])(CCCH)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]O[5]O)(CC[6a]CH)(N[5]C[5])(CCCH){1|C<3>}	H(CC[6a]C[5]C)	105.3570	0.000	1	105.3570	0.000	1	105.3570	0.000	1	106.8654	0.729	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:2:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CH3)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CH3){1|C<3>}	H(CC[6a]C[5]C)	105.6990	0.000	1	105.6990	0.000	1	105.6990	0.000	1	106.8654	0.729	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:2:4:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)2(H)	C[5](C[5]N[5]O)(CC[6a]2H)(O[5]C[5])(CH3)	H(CC[6a]2C[5])	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)2(H)	C[5](C[5]N[5]O)(CC[6a]2H)(O[5]C[5])(CH3){1|C<3>}	H(CC[6a]2C[5])	105.5540	0.000	1	105.5540	0.000	1	105.5540	0.000	1	106.8654	0.729	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:2:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-3:C-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CCCH)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CCCH){1|C<3>}	H(CC[6a]C[5]N)	107.1440	0.252	8	107.1440	0.063	8	107.2277	0.267	11	106.8654	0.729	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:2:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-3:C-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3){1|C<3>}	H(CC[6a]C[5]N)	108.6070	0.000	1	108.6070	0.000	1	107.2277	0.267	11	106.8654	0.729	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:2:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-3:C-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]S[5]O)(CC[6a]HN)(N[5]C[5])(CCCH)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]S[5]O)(CC[6a]HN)(N[5]C[5])(CCCH){1|S<2>}	H(CC[6a]C[5]N)	106.9740	0.000	1	106.9740	0.000	1	107.2277	0.267	11	106.8654	0.729	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:2:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-3:C-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NP[5]H)(H)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NP[5]H)(H)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3){1|C<3>}	H(CC[6a]C[5]N)	106.7720	0.000	1	106.7720	0.000	1	107.2277	0.267	11	106.8654	0.729	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:3:1:	4:	C[5]-4:C[5a]-3:C[6a]-3:H-1:	C[5,6a]-3:C-4:N[5]-3:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a]H)(N[5]C[5]H)(H)	H(CC[5a]C[6a]C[5])	C(C[5]C[5,6a]N[5]H)(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a]H)(N[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5a]C[6a]C[5])	107.7270	0.000	1	107.7270	0.000	1	107.7270	0.000	1	107.7270	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:3:3:	4:	C[5]-4:C[6a]-3:N[6]-3:H-1:	C[5,6a]-3:C-4:C[5]-3:C[5]-3:	C-4:	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[6]H)(C[5]C[5]2)(C[5]N[5]O)	H(CC[6a]C[5]N[6])	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[6]H)(C[5]C[5]2)(C[5]N[5]O){2|H<1>,2|O<1>,4|C<3>}	H(CC[6a]C[5]N[6])	105.4070	0.000	1	105.4070	0.000	1	105.4070	0.000	1	105.4070	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.5855	0.043	2	105.4593	3.806	3	105.4593	3.806	3	105.4593	3.806	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:3:4:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH){2|C<3>,3|H<1>}	H(CC[6a]C[5]C)	103.2070	0.000	1	105.4593	3.806	3	105.4593	3.806	3	105.4593	3.806	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,6]H)(CC[6a]O)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6a]C[5,6]H)(CC[6a]O)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(CC[5]CC)	110.4630	0.000	1	110.4630	0.000	1	110.4630	0.000	1	107.9459	2.236	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(COO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6a]C[5]H)(COO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCCH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CC)	106.7620	0.000	1	106.7620	0.000	1	106.8825	0.029	2	107.9459	2.236	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(COO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6a]C[5]H)(COO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCCH)(H){2|H<1>,5|C<3>}	H(CC[5]CC)	107.0030	0.000	1	107.0030	0.000	1	106.8825	0.029	2	107.9459	2.236	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]CH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(CC[6a]C[5]C)	108.9010	0.380	2	108.9010	0.145	2	108.9010	0.145	2	107.9459	2.236	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(H)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]2H)(H)	H(CC[6a]2C[5])	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(H)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]2H)(H){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]2C[5])	105.6980	0.000	1	105.6980	0.000	1	105.6980	0.000	1	107.9459	2.236	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(NCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]HN)(H)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(NCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]HN)(H){2|H<1>,5|C<3>}	H(CC[6a]C[5]N)	107.9195	0.025	2	107.9195	0.001	2	107.9195	0.001	2	107.9459	2.236	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	3:4:4:4:	4:	C[5]-4:C[6a]-3:N-3:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HN)(CC[6a]HO)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NC[6a]H)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HN)(CC[6a]HO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]C[5]N)	107.4440	0.000	1	107.4440	0.000	1	107.4440	0.000	1	107.4440	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:2:4:1:	4:	C[5]-4:C-3:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCO)2(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCO)2(H)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CCCH)(H){4|C<3>}	H(CC[5]CC)	108.4030	0.000	1	108.4030	0.000	1	108.4030	0.000	1	108.3844	2.250	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:2:4:1:	4:	C[5]-4:C-3:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCH)(NHS)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCH)(NHS)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(CC[5]CN)	109.1827	0.795	3	109.1827	0.632	3	109.1827	0.632	3	108.3844	2.250	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:2:4:1:	4:	C[5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(N[5]C[5]2)2(H)	C[5](C[5]C[5]HH)(S[5]C[5])(CN[5]2H)(H)	H(CC[5]N[5]2)	C(C[5]C[5]S[5]H)(N[5]C[5]2)2(H)	C[5](C[5]C[5]HH)(S[5]C[5])(CN[5]2H)(H){4|H<1>}	H(CC[5]N[5]2)	105.9710	0.000	1	105.9710	0.000	1	105.9710	0.000	1	108.3844	2.250	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)2(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(COO)2(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CCCH)(H){1|C<4>,2|H<1>}	H(CC[5]CC)	109.3440	0.000	1	109.3440	0.000	1	108.3995	1.784	2	107.2116	0.905	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C-3:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)2(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(COO)2(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(CCCH)(H){2|C<4>,3|H<1>}	H(CC[5]CC)	107.4550	0.000	1	107.4550	0.000	1	108.3995	1.784	2	107.2116	0.905	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C-3:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(COO)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(COO)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<3>,3|H<1>}	H(CC[5]CC)	106.8400	0.000	1	107.1423	0.234	3	107.1423	0.234	3	107.2116	0.905	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C-3:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(COO)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(COO)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<4>,3|H<1>}	H(CC[5]CC)	107.2935	0.575	2	107.1423	0.234	3	107.1423	0.234	3	107.2116	0.905	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C-3:N-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCC)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]2H)(CCC)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHN)(H){3|H<1>}	H(CC[5]CN)	106.7920	0.000	1	106.7920	0.000	1	106.7920	0.000	1	107.2116	0.905	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C-3:N-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(COO)(NCH)(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]N[5]H)(COO)(NCH)(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHN)(H){1|H<1>,1|O<1>}	H(CC[5]CN)	107.9235	0.350	2	107.9235	0.123	2	107.9235	0.123	2	107.2116	0.905	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)2(H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]2H)(H)	H(CC[6a]2C[5])	C(C[5]C[5,6a]C[5,6]H)(C[6a]C[6a]2)2(H)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]2H)(H){1|O<2>,2|H<1>,4|C<3>}	H(CC[6a]2C[5])	105.6210	0.000	1	105.6210	0.000	1	105.6210	0.000	1	107.2116	0.905	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]2H)(H)	H(CC[6a]2C[5])	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]2H)(H){4|H<1>}	H(CC[6a]2C[5])	105.9170	0.000	1	105.9170	0.000	1	106.6117	0.398	3	107.2116	0.905	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2H)(H)	H(CC[6a]2C[5])	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2H)(H){1|O<1>}	H(CC[6a]2C[5])	106.9590	0.270	2	106.9590	0.073	2	106.6117	0.398	3	107.2116	0.905	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]HN)(H)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CC[6a]HN)(H){1|O<1>,2|C<4>}	H(CC[6a]C[5]N)	107.4300	0.000	1	107.4300	0.000	1	107.4300	0.000	1	107.2116	0.905	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:3:4:3:	4:	C[5]-4:C-3:N-3:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CCH)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)(CCO)	H(CC[5]CN)	C(C[5]C[5]2C)(CCH)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)(CCO){4|H<1>}	H(CC[5]CN)	107.9650	0.000	2	107.9650	0.000	2	107.9650	0.000	2	106.7812	2.263	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)(COO)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)(COO){4|H<1>}	H(CC[6a]C[5]C)	105.8550	0.000	1	105.8550	0.000	1	105.9920	2.191	3	106.7812	2.263	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)(COO)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)(COO){1|O<1>,2|H<1>}	H(CC[6a]C[5]C)	104.5850	0.000	1	106.0605	4.354	2	105.9920	2.191	3	106.7812	2.263	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:3:4:3:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)(COO)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)(COO){4|H<1>}	H(CC[6a]C[5]C)	107.5360	0.000	1	106.0605	4.354	2	105.9920	2.191	3	106.7812	2.263	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:3:4:4:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC[6a]2H)(CCHH)	H(CC[6a]2C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC[6a]2H)(CCHH){1|C<4>}	H(CC[6a]2C[5])	105.8980	0.000	1	105.8980	0.000	1	105.8980	0.000	1	105.8980	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:C[5a]-3:C-3:H-1:	C[5,5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(C[5a]C[5a]O[5a])(CCC)(H)	C[5](C[5,5]C[5,5]C[5]H)(CC[5a]CH)(O[5]C[5])(H)	H(CC[5a]C[5]C)	C(C[5]C[5,5]O[5]H)(C[5a]C[5a]O[5a])(CCC)(H)	C[5](C[5,5]C[5,5]C[5]H)(CC[5a]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	H(CC[5a]C[5]C)	105.2170	0.000	1	105.2170	0.000	1	105.2170	0.000	1	106.2417	1.060	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)2(H)	C[5](C[5,5]N[5,5]C[5]H)(CC[6a]2H)(O[5]C[5])(H)	H(CC[6a]2C[5])	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)2(H)	C[5](C[5,5]N[5,5]C[5]H)(CC[6a]2H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	H(CC[6a]2C[5])	107.6690	0.000	1	107.6690	0.000	1	107.6690	0.000	1	106.2417	1.060	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:C-4:N[5]-2:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NSS)(H)	C[5](C[5]N[5]HH)(CC[6a]HN)(N[5]C[5])(H)	H(CC[6a]C[5]N)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NSS)(H)	C[5](C[5]N[5]HH)(CC[6a]HN)(N[5]C[5])(H){2|C<3>}	H(CC[6a]C[5]N)	106.1160	0.000	1	106.1160	0.000	1	106.1160	0.000	1	106.2417	1.060	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NCC)(H)	C[5](C[5]O[5]CC)(CC[6a]HN)(O[5]C[5])(H)	H(CC[6a]C[5]N)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NCC)(H)	C[5](C[5]O[5]CC)(CC[6a]HN)(O[5]C[5])(H){1|O<1>}	H(CC[6a]C[5]N)	105.9650	0.000	1	105.9650	0.000	1	105.9650	0.000	1	106.2417	1.060	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:4:2:3:	4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:C-4:N[5]-2:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5]HH)(CC[6a]CH)(N[5]C[5])(COO)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5]HH)(CC[6a]CH)(N[5]C[5])(COO){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.7420	0.231	2	106.7420	0.053	2	106.7420	0.053	2	106.6720	0.041	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:4:2:3:	4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C-4:C[5]-4:O[5]-2:C-3:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](CC[6a]C[5]H)(C[5]C[5]HH)(O[5]N[5])(COO)	H(CC[6a]C[5]2)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](CC[6a]C[5]H)(C[5]C[5]HH)(O[5]N[5])(COO){1|C<3>}	H(CC[6a]C[5]2)	106.5320	0.000	1	106.5320	0.000	1	106.5320	0.000	1	106.6720	0.041	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C-3:C-3:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(COO)2(H)	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[3,5]C[5]H)(COO)2(H)	C[5](C[3,5]C[3,5]C[3]S)(C[5]O[5]HO)(CCCH)(H){3|H<1>}	H(CC[5]CC)	109.0310	0.000	1	109.0310	0.000	1	109.0310	0.000	1	108.5676	1.481	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C-3:C-3:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(COS)2(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5,6]C[5]H)(COS)2(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(CC[5]CC)	107.7360	0.000	1	107.7360	0.000	1	107.7360	0.000	1	108.5676	1.481	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C-3:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCH)(COO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCH)(COO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,4|H<1>}	H(CC[5]CC)	110.0790	0.000	1	110.0790	0.000	1	110.0790	0.000	1	108.5676	1.481	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CN[5]O)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CN[5]O)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){4|H<1>}	H(CC[5]CC)	107.3420	0.000	1	107.3420	0.000	1	108.7937	1.697	6	108.5676	1.481	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)2(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(COO)2(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CCCH)(H){4|C<3>}	H(CC[5]CC)	108.7400	2.355	2	108.7400	5.544	2	108.7937	1.697	6	108.5676	1.481	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COS)2(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(COS)2(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>}	H(CC[5]CC)	109.3133	0.091	3	109.3133	0.008	3	108.7937	1.697	6	108.5676	1.481	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C-3:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(COO)(NOO)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]2H)(COO)(NOO)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CCHN)(H){2|C<3>}	H(CC[5]CN)	108.9665	0.118	2	108.9665	0.014	2	108.9665	0.014	2	108.5676	1.481	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:N-3:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NHS)(H)	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HN)(H)	H(CC[6a]C[5]N)	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NHS)(H)	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HN)(H){2|C<3>,4|H<1>}	H(CC[6a]C[5]N)	106.9190	0.160	2	106.9190	0.026	2	106.9190	0.026	2	108.5676	1.481	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:4:4:2:	4:	C[5]-4:C-3:N-3:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(COO)(NCC)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHN)(OH)	H(CC[5]CN)	C(C[5]C[5,5]C[5]O)(COO)(NCC)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCHN)(OH){2|C<4>,2|H<1>,2|O<2>}	H(CC[5]CN)	104.6610	0.000	1	104.6610	0.000	1	104.6610	0.000	1	105.4945	1.389	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:4:4:2:	4:	C[5]-4:C[6]-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(C[6]C[6]2)(CCH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6]CH)(OH)	H(CC[5]C[6]C)	C(C[5]C[5]2O)(C[6]C[6]2)(CCH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(CC[6]CH)(OH){2|C<3>}	H(CC[5]C[6]C)	106.3280	0.000	1	106.3280	0.000	1	106.3280	0.000	1	105.4945	1.389	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:3:1:	4:4:4:4:	4:	C[5]-4:C-3:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCH)(CNO)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCH)(CH3)	H(CC[5]CC)	C(C[5]C[5]2C)(CCH)(CNO)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CCCH)(CH3){2|C<3>}	H(CC[5]CC)	108.0630	0.000	1	108.0630	0.000	1	108.0630	0.000	1	108.0630	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:2:4:1:	4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CC[6]HH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H)	H(CC[5]2C)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CC[6]HH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H){1|C<3>,1|O<1>}	H(CC[5]2C)	107.4065	0.371	4	107.4065	0.137	4	107.4065	0.137	4	107.4065	0.137	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:2:4:3:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(COO)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(COO){2|C<3>}	H(CC[6a]C[5]C)	107.5000	0.000	1	107.5000	0.000	1	107.5000	0.000	1	107.5000	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:2:4:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH){2|C<3>}	H(CC[6a]C[5]C)	106.4630	0.000	1	106.4630	0.000	1	106.4630	0.000	1	106.4630	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]2)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]2)(CC[6a]CH){2|C<4>,3|C<3>,3|H<1>}	H(CC[6a]C[5]C)	107.4080	0.000	1	107.4080	0.000	1	107.4080	0.000	1	106.7740	0.247	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){4|C<3>,4|H<1>}	H(CC[6a]C[5]C)	106.4590	0.000	1	106.4590	0.000	1	106.6800	0.244	4	106.7740	0.247	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){1|C<4>,2|H<1>,4|C<3>}	H(CC[6a]C[5]C)	106.4230	0.100	2	106.7537	0.333	3	106.6800	0.244	4	106.7740	0.247	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){1|C<4>,3|H<1>,4|C<3>}	H(CC[6a]C[5]C)	107.4150	0.000	1	106.7537	0.333	3	106.6800	0.244	4	106.7740	0.247	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:3:4:	4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5a]C[5])(N[5]C[5]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CN[5]CH)	H(CC[5]N[5]C)	C(C[5]C[5,6a]N[5a]C[5])(N[5]C[5]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CN[5]CH){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	H(CC[5]N[5]C)	106.5160	0.000	1	106.5160	0.000	1	106.5160	0.000	1	106.7740	0.247	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:C-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]O)(CCHH)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CC[6a]O)(CCHH)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCCH)(H){1|H<1>,1|O<1>}	H(CC[5]CC)	108.3610	0.566	2	108.3610	0.320	2	108.3610	0.320	2	106.9142	1.530	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:C[6]-3:C-4:H-1:	C[5,6]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]CH)(H)	H(CC[5]C[6]C)	C(C[5]C[5,6]N[5]H)(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]CH)(H){1|H<1>,3|C<3>}	H(CC[5]C[6]C)	107.8350	0.000	1	107.8350	0.000	1	107.8350	0.000	1	106.9142	1.530	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]2H)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]CH)(H){2|H<1>,4|C<3>}	H(CC[6a]C[5]C)	106.5495	0.395	2	106.5495	0.156	2	106.5495	0.156	2	106.9142	1.530	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C-4:	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl){2|C<3>,2|H<1>}	H(CC[6a]C[5]C)	106.9430	0.109	2	106.9430	0.012	2	106.4364	0.273	5	106.9142	1.530	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C-4:	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl){1|Cl<1>,1|H<1>,2|C<3>}	H(CC[6a]C[5]C)	106.0987	0.335	3	106.0987	0.112	3	106.4364	0.273	5	106.9142	1.530	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(H){2|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.0360	0.000	1	107.0360	0.000	1	107.0360	0.000	1	106.9142	1.530	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H){1|H<1>,1|O<1>}	H(CC[6a]C[5]C)	106.8600	0.304	2	106.8600	0.092	2	107.0316	0.059	5	106.9142	1.530	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[5a]HH)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[5a]HH)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H){1|H<1>,1|O<1>}	H(CC[6a]C[5]C)	107.3030	0.000	1	107.3030	0.000	1	107.0316	0.059	5	106.9142	1.530	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]CH)(H){2|C<3>}	H(CC[6a]C[5]C)	107.1280	0.000	1	107.1280	0.000	1	107.0316	0.059	5	106.9142	1.530	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H){1|H<1>,1|O<1>}	H(CC[6a]C[5]C)	107.0070	0.000	1	107.0070	0.000	1	107.0316	0.059	5	106.9142	1.530	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:1:	4:	C[5]-4:C[6a]-3:N-4:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(NH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HN)(H)	H(CC[6a]C[5]N)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(NH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HN)(H){1|H<1>,2|C<3>,2|O<1>}	H(CC[6a]C[5]N)	106.2120	4.086	2	106.2120	16.693	2	106.2120	16.693	2	106.9142	1.530	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:2:	4:	C[5]-4:C-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH)	H(CC[5]CC)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH){2|C<3>,2|H<1>}	H(CC[5]CC)	107.0560	0.000	1	107.0560	0.000	1	107.0560	0.000	1	107.2390	0.214	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:2:	4:	C[5]-4:C[5a]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(OH)	H(CC[5a]C[5]C)	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(OH){2|C<3>,2|H<1>}	H(CC[5a]C[5]C)	106.9460	0.000	1	106.9460	0.000	1	106.9460	0.000	1	107.2390	0.214	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:2:	4:	C[5]-4:C[5a]-3:C-4:H-1:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C-4:	C(C[5]C[6a]C[5]O[5])(C[5a]C[5a]S[5a])(CCHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[5a]CH)(O[5]C[5])	H(CC[5a]C[5]C)	C(C[5]C[6a]C[5]O[5])(C[5a]C[5a]S[5a])(CCHH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[5a]CH)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	H(CC[5a]C[5]C)	106.9720	0.000	1	106.9720	0.000	1	106.9720	0.000	1	107.2390	0.214	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5]C)	108.0950	0.000	1	108.0950	0.000	1	108.0950	0.000	1	107.2390	0.214	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:C-4:O[5]-2:	C-4:	C(C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)(O[5]C[5])	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)(O[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	H(CC[6a]C[5]C)	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	107.2390	0.214	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C-4:	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(O[5]C[5])	H(CC[6a]C[5]C)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	H(CC[6a]C[5]C)	107.4080	0.000	1	107.4080	0.000	1	107.4080	0.000	1	107.2390	0.214	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:2:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[5]-3:C-4:S[5]-2:	C-4:	C(C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(S[5]C[5])	H(CC[6a]C[5]C)	C(C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(S[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	H(CC[6a]C[5]C)	106.7170	0.000	1	106.7170	0.000	1	106.7170	0.000	1	107.2390	0.214	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:3:	4:	C[5]-4:C-3:C-4:H-1:	C[5,6a]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CCCH)(COO)	H(CC[5]CC)	C(C[5]C[5,6a]N[5]C)(CC[6a]O)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CCCH)(COO){1|H<1>,2|C<3>,2|O<1>}	H(CC[5]CC)	107.5140	0.000	1	107.5140	0.000	1	107.5140	0.000	1	107.7085	0.076	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:3:	4:	C[5]-4:C[5a]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]S[5a])(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(NCH)	H(CC[5a]C[5]C)	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]S[5a])(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(NCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5a]C[5]C)	107.9030	0.000	1	107.9030	0.000	1	107.9030	0.000	1	107.7085	0.076	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:4:	4:	C[5]-4:C-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CSiC)(CH3)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)2	H(CC[5]CC)	C(C[5]C[5]N[5]C)(CSiC)(CH3)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)2{1|C<3>,1|O<1>}	H(CC[5]CC)	106.1100	0.000	1	106.1100	0.000	1	106.1100	0.000	1	106.5488	0.123	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|H<1>,1|S<4>,2|C<3>}	H(CC[6a]C[5]C)	106.8120	0.000	1	106.8120	0.000	1	106.6585	0.084	4	106.5488	0.123	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CC[6a]HH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]C[5]C)	106.7040	0.000	1	106.7040	0.000	1	106.6585	0.084	4	106.5488	0.123	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:3:4:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]CH)(CH3)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]CH)(CH3){1|H<1>,2|C<3>}	H(CC[6a]C[5]C)	106.5590	0.454	2	106.5590	0.206	2	106.6585	0.084	4	106.5488	0.123	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|Br<1>,1|O<1>}	H(CC[6a]C[5]C)	107.4800	0.000	1	107.6557	0.366	3	107.2180	0.489	8	107.2180	0.489	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>}	H(CC[6a]C[5]C)	107.7435	0.828	2	107.6557	0.366	3	107.2180	0.489	8	107.2180	0.489	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	C[5](C[5]C[6a]C[5])(CC[6a]CH)(O[5]C[5])(H)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	C[5](C[5]C[6a]C[5])(CC[6a]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]C[5]C)	107.0200	0.000	1	107.0200	0.000	1	107.2180	0.489	8	107.2180	0.489	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>}	H(CC[6a]C[5]C)	107.9270	0.000	1	106.9393	0.589	4	107.2180	0.489	8	107.2180	0.489	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:2:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|O<1>,1|S<2>}	H(CC[6a]C[5]C)	106.6100	0.483	3	106.9393	0.589	4	107.2180	0.489	8	107.2180	0.489	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:2:2:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C-4:N[5]-2:O[5]-2:	C-4:	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](C[6a]C[6a]2)(CC[6a]CH)(N[5]C[5])(O[5]C[5])	H(CC[6a]C[5]C)	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](C[6a]C[6a]2)(CC[6a]CH)(N[5]C[5])(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	H(CC[6a]C[5]C)	106.8440	0.000	1	106.8440	0.000	1	106.8440	0.000	1	106.8440	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:2:3:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:C-4:O[5]-2:C-3:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(COO)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(COO){1|C<4>,3|H<1>}	H(CC[6a]C[5]C)	104.8903	0.879	3	104.8903	0.773	3	104.8903	0.773	3	104.8903	0.773	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:2:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	H(CC[6a]C[5]C)	106.9080	0.000	1	106.9080	0.000	1	106.6296	0.369	9	106.5759	0.357	10	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:2:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(CH3)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(CH3){1|C<3>,1|H<1>}	H(CC[6a]C[5]C)	106.4690	0.000	1	106.4690	0.000	1	106.6296	0.369	9	106.5759	0.357	10	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:2:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CCHH)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CCHH){1|C<3>}	H(CC[6a]C[5]C)	107.0870	0.646	2	107.0870	0.418	2	106.6296	0.369	9	106.5759	0.357	10	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:2:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|C<4>,1|O<1>}	H(CC[6a]C[5]C)	106.1360	0.000	1	106.1765	0.195	4	106.6296	0.369	9	106.5759	0.357	10	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:2:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	H(CC[6a]C[5]C)	106.1900	0.539	3	106.1765	0.195	4	106.6296	0.369	9	106.5759	0.357	10	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:2:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHS)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHS)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	H(CC[6a]C[5]C)	107.4090	0.000	1	107.4090	0.000	1	106.6296	0.369	9	106.5759	0.357	10	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:2:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:C-4:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]N[5]O)(CC[6a]CH)(S[5]C[5])(CH3)	H(CC[6a]C[5]C)	C(C[5]C[5]S[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]N[5]O)(CC[6a]CH)(S[5]C[5])(CH3){1|C<3>,1|S<1>}	H(CC[6a]C[5]C)	106.0930	0.000	1	106.0930	0.000	1	106.0930	0.000	1	106.5759	0.357	10	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:3:4:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)	H(CC[6a]C[5]C)	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH){2|C<3>,6|H<1>}	H(CC[6a]C[5]C)	106.6300	0.000	1	106.6300	0.000	1	106.6300	0.000	1	106.6300	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:C-3:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]O)(CH3)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CC[6a]O)(CH3)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]CC)	107.9220	0.000	1	107.9220	0.000	1	107.9220	0.000	1	107.4712	0.287	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[6a]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]CH)(H){2|C<3>,4|H<1>}	H(CC[6a]C[5]C)	106.7490	0.000	1	106.7490	0.000	1	107.0670	0.202	2	107.4712	0.287	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CC[6a]CH)(H){1|O<1>,3|C<3>}	H(CC[6a]C[5]C)	107.3850	0.000	1	107.3850	0.000	1	107.0670	0.202	2	107.4712	0.287	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:4:1:	4:	C[5]-4:N-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(NC[6a]H)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5,6a]C[5]H)(NC[6a]H)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHN)(H){1|H<1>,2|C<3>}	H(CC[5]CN)	107.8290	0.000	1	107.8290	0.000	1	107.8290	0.000	1	107.4712	0.287	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:4:2:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(C[6a]N[6a]2)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)(OH)	H(CC[6a]C[5]C)	C(C[5]C[5,6a]C[5]O)(C[6a]N[6a]2)(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)(OH){2|C<3>,3|H<1>}	H(CC[6a]C[5]C)	106.7200	0.000	1	106.7200	0.000	1	106.7200	0.000	1	107.0680	0.144	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:4:2:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:C-4:C-4:N[5]-2:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]O[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5])	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]O[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5]){1|C<3>}	H(CC[6a]C[5]C)	106.9725	0.056	2	106.9725	0.003	2	107.1840	0.136	3	107.0680	0.144	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	3:4:4:2:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:C-4:C-4:N[5]-2:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]S[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5])	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]S[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5]){1|O<2>}	H(CC[6a]C[5]C)	107.6070	0.000	1	107.6070	0.000	1	107.1840	0.136	3	107.0680	0.144	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:C-3:C-4:H-1:	B[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]B[5]O[5]H)(CN[6]H)(CH3)(H)	C[5](B[5]C[6a]2O[5])(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]B[5]O[5]H)(CN[6]H)(CH3)(H)	C[5](B[5]C[6a]2O[5])(O[5]C[5])(CCCH)(H){1|B<4>,4|C<3>}	H(CC[5]CC)	110.3300	0.000	1	110.3300	0.000	1	110.3300	0.000	1	108.1710	3.496	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCCH)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCCH)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]CH)(H){1|C<3>,1|C<4>}	H(CC[6a]C[5]C)	107.0840	0.000	1	107.0840	0.000	1	107.0915	0.000	2	108.1710	3.496	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:2:4:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	C[5](C[5]C[5]HO)(O[5]Si[5])(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	C[5](C[5]C[5]HO)(O[5]Si[5])(CC[6a]CH)(H){1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]C[5]C)	107.0990	0.000	1	107.0990	0.000	1	107.0915	0.000	2	108.1710	3.496	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:B[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(B[5]O[5]2)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CB[5]CH)(H)	H(CB[5]C[5]C)	C(C[5]C[5]2H)(B[5]O[5]2)(CHHO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CB[5]CH)(H){2|C<3>,2|H<1>}	H(CB[5]C[5]C)	106.5420	0.000	1	106.5420	0.000	1	106.5420	0.000	1	106.0984	0.317	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]H)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CC[5]H)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)(H){1|O<1>}	H(CC[5]CC)	106.7420	0.000	1	106.7420	0.000	1	106.7420	0.000	1	106.0984	0.317	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CN[5]O)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CN[5]O)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]CC)	105.3985	0.015	2	105.3985	0.000	2	105.3985	0.000	2	106.0984	0.317	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6]CH)(H)	H(CC[5]C[6]C)	C(C[5]C[5]2H)(C[6]C[6]2)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6]CH)(H){1|C<3>,1|O<1>}	H(CC[5]C[6]C)	105.8385	0.360	2	105.8385	0.130	2	105.8385	0.130	2	106.0984	0.317	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:3:4:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(H)	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(H)	C[5](C[5]N[5]HH)(N[5]C[5]O)(CC[6a]CH)(H){1|O<1>,1|O<2>}	H(CC[6a]C[5]C)	106.5145	0.118	2	106.5145	0.014	2	106.5145	0.014	2	106.0984	0.317	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:3:4:2:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:Se-2:	C-4:	C(C[5]C[5]2Se)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(SeC[6a])	H(CC[6a]C[5]C)	C(C[5]C[5]2Se)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(SeC[6a]){2|C<3>}	H(CC[6a]C[5]C)	106.9537	0.182	3	106.9537	0.033	3	106.9537	0.033	3	106.9537	0.033	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHO)(H)	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHO)(H)	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H){1|O<1>,2|H<1>}	H(CC[6a]C[5]C)	107.1860	0.000	1	107.1860	0.000	1	106.8624	0.190	5	106.8958	0.158	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,1|O<1>}	H(CC[6a]C[5]C)	106.9470	0.000	1	106.9470	0.000	1	106.8624	0.190	5	106.8958	0.158	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5]HO)(CC[6a]CH)(O[5]C[5])(H)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5]HO)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>}	H(CC[6a]C[5]C)	107.3500	0.000	1	107.3500	0.000	1	106.8624	0.190	5	106.8958	0.158	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHO)(H)	C[5](C[5]N[5]CH)(CC[6a]CH)(O[5]C[5])(H)	H(CC[6a]C[5]C)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHO)(H)	C[5](C[5]N[5]CH)(CC[6a]CH)(O[5]C[5])(H){1|O<1>,1|S<4>}	H(CC[6a]C[5]C)	106.4145	0.086	2	106.4145	0.007	2	106.8624	0.190	5	106.8958	0.158	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[6a]-3:N-4:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]AlH)(H)	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H)	H(CC[6a]C[5]N)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]AlH)(H)	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H){4|H<1>}	H(CC[6a]C[5]N)	107.0630	0.000	1	107.0630	0.000	1	107.0630	0.000	1	106.8958	0.158	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:4:2:3:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C-4:N[5]-2:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CC[5a]HH)(H)	C[5](C[5]C[5]HH)(CC[6a]CH)(N[5]C[5])(COO)	H(CC[6a]C[5]C)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CC[5a]HH)(H)	C[5](C[5]C[5]HH)(CC[6a]CH)(N[5]C[5])(COO){1|C<3>,2|H<1>}	H(CC[6a]C[5]C)	107.8200	0.000	1	107.8200	0.000	1	107.8200	0.000	1	107.8200	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[6]O)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CC[6]O)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){2|C<4>,5|H<1>}	H(CC[5]CC)	109.6310	0.000	1	109.6310	0.000	1	109.6310	0.000	1	107.7393	0.909	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[5a]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[5a]CH)(H)	H(CC[5a]C[5]C)	C(C[5]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[5a]CH)(H){2|C<4>,5|H<1>}	H(CC[5a]C[5]C)	108.0110	0.000	1	108.0110	0.000	1	108.0110	0.000	1	107.7393	0.909	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6])(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[6]CH)(H)	H(CC[5]C[6]C)	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6])(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[6]CH)(H){2|C<4>,5|H<1>}	H(CC[5]C[6]C)	107.2300	0.000	1	107.2300	0.000	1	107.3880	0.050	2	107.7393	0.909	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6])(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[6]CH)(H)	H(CC[5]C[6]C)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6])(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CC[6]CH)(H){2|C<4>,5|H<1>}	H(CC[5]C[6]C)	107.5460	0.000	1	107.5460	0.000	1	107.3880	0.050	2	107.7393	0.909	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]CH)(H){2|C<4>,5|H<1>}	H(CC[6a]C[5]C)	107.6970	0.000	1	107.6970	0.000	1	107.2523	0.396	3	107.7393	0.909	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:3:4:1:	4:4:4:1:	4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]CH)(H)	H(CC[6a]C[5]C)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]CH)(H){1|C<3>,1|C<4>,4|H<1>}	H(CC[6a]C[5]C)	107.0300	0.704	2	107.0300	0.496	2	107.2523	0.396	3	107.7393	0.909	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:2:4:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-2:O[5]-2:O-2:C-4:	C-4:	C(C[5]N[5]O[5]O)(CH3)(H)2	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CCHH)	H(CC[5]CH)	C(C[5]N[5]O[5]O)(CH3)(H)2	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CC[5]CH)	108.8132	0.272	4	108.8132	0.074	4	108.8132	0.074	4	108.8132	0.074	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:1:	4:	C-4:C[5]-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:H-1:	C-4:	C(CC[5]C[6]H)(C[5]O[5]2H)(H)2	C[5](O[5]C[5])2(CCHH)(H)	H(CC[5]CH)	C(CC[5]C[6]H)(C[5]O[5]2H)(H)2	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.9485	0.012	2	108.9485	0.000	2	108.9485	0.000	2	108.6409	1.296	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]2H)(CCCH)(H)2	C[5](O[5]C[5])2(CCHH)(H)	H(CC[5]CH)	C(C[5]O[5]2H)(CCCH)(H)2	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	H(CC[5]CH)	107.9760	0.006	2	107.9760	0.000	2	108.6351	1.565	27	108.6409	1.296	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]2H)(CCHH)(H)2	C[5](O[5]C[5,5,6])2(CCHH)(H)	H(CC[5]CH)	C(C[5]O[5]2H)(CCHH)(H)2	C[5](O[5]C[5,5,6])2(CCHH)(H){2|C<4>,2|H<1>}	H(CC[5]CH)	108.9095	0.052	2	108.9095	0.003	2	108.6351	1.565	27	108.6409	1.296	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]2H)(CCHH)(H)2	C[5](O[5]C[5])2(CCHH)(H)	H(CC[5]CH)	C(C[5]O[5]2H)(CCHH)(H)2	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.8127	0.402	4	108.8127	0.162	4	108.6351	1.565	27	108.6409	1.296	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]2H)(CCHO)(H)2	C[5](O[5]C[5])2(CCHH)(H)	H(CC[5]CH)	C(C[5]O[5]2H)(CCHO)(H)2	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	H(CC[5]CH)	109.4640	1.256	2	109.4640	1.577	2	108.6351	1.565	27	108.6409	1.296	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]2H)(CC[4]HH)(H)2	C[5](O[5]C[5])2(CCHH)(H)	H(CC[5]CH)	C(C[5]O[5]2H)(CC[4]HH)(H)2	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.6955	0.037	4	108.6955	0.001	4	108.6351	1.565	27	108.6409	1.296	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]2H)(CC[5]CH)(H)2	C[5](O[5]C[5])2(CCHH)(H)	H(CC[5]CH)	C(C[5]O[5]2H)(CC[5]CH)(H)2	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.9740	0.000	1	108.9740	0.000	1	108.6351	1.565	27	108.6409	1.296	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]2H)(CC[5]HH)(H)2	C[5](O[5]C[5])2(CCHH)(H)	H(CC[5]CH)	C(C[5]O[5]2H)(CC[5]HH)(H)2	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	H(CC[5]CH)	107.0000	1.459	2	107.0000	2.130	2	108.6351	1.565	27	108.6409	1.296	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]2H)(CC[6a]CH)(H)2	C[5](O[5]C[5])2(CCHH)(H)	H(CC[5]CH)	C(C[5]O[5]2H)(CC[6a]CH)(H)2	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	H(CC[5]CH)	107.7550	2.766	2	107.7550	7.652	2	108.6351	1.565	27	108.6409	1.296	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]2H)(CC[6a]HH)(H)2	C[5](O[5]C[5])2(CCHH)(H)	H(CC[5]CH)	C(C[5]O[5]2H)(CC[6a]HH)(H)2	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.5540	0.049	2	108.5540	0.002	2	108.6351	1.565	27	108.6409	1.296	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]2H)(CClHS)(H)2	C[5](O[5]C[5])2(CCHH)(H)	H(CC[5]CH)	C(C[5]O[5]2H)(CClHS)(H)2	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.9785	1.989	4	108.9785	3.955	4	108.6351	1.565	27	108.6409	1.296	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]2H)(CHHS)(H)2	C[5](O[5]C[5])2(CCHH)(H)	H(CC[5]CH)	C(C[5]O[5]2H)(CHHS)(H)2	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	H(CC[5]CH)	109.4555	2.364	2	109.4555	5.588	2	108.6351	1.565	27	108.6409	1.296	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:1:	4:	C[5]-4:P-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]2H)(PC[6a]2Ru)(H)2	C[5](O[5]C[5])2(CHHP)(H)	H(CC[5]HP)	C(C[5]O[5]2H)(PC[6a]2Ru)(H)2	C[5](O[5]C[5])2(CHHP)(H){4|H<1>}	H(CC[5]HP)	108.8990	0.054	2	108.8990	0.003	2	108.5258	0.187	4	108.6409	1.296	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:1:	4:	C[5]-4:P-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]2H)(PC[6a]3)(H)2	C[5](O[5]C[5])2(CHHP)(H)	H(CC[5]HP)	C(C[5]O[5]2H)(PC[6a]3)(H)2	C[5](O[5]C[5])2(CHHP)(H){4|H<1>}	H(CC[5]HP)	108.1525	0.018	2	108.1525	0.000	2	108.5258	0.187	4	108.6409	1.296	33	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-2:S[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]S[5]C)(CCHH)(H)2	C[5](N[5]N[5])(S[5]C[5])(CCHH)2	H(CC[5]CH)	C(C[5]N[5]S[5]C)(CCHH)(H)2	C[5](N[5]N[5])(S[5]C[5])(CCHH)2{1|N<2>}	H(CC[5]CH)	108.5090	0.285	3	108.5090	0.081	3	108.5090	0.081	3	108.0788	0.655	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(CCCH)(H)2	C[5](O[5]C[5,6a])2(CCHH)2	H(CC[5]CH)	C(C[5]O[5]2C)(CCCH)(H)2	C[5](O[5]C[5,6a])2(CCHH)2{2|C<3>}	H(CC[5]CH)	108.0685	0.195	4	108.0685	0.038	4	108.0227	0.771	51	108.0788	0.655	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(CCHH)(H)2	C[5](O[5]C[5])2(CCHH)2	H(CC[5]CH)	C(C[5]O[5]2C)(CCHH)(H)2	C[5](O[5]C[5])2(CCHH)2{4|H<1>}	H(CC[5]CH)	108.5399	0.214	8	108.5399	0.046	8	108.0227	0.771	51	108.0788	0.655	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(CCHO)(H)2	C[5](O[5]C[5])2(CCHH)2	H(CC[5]CH)	C(C[5]O[5]2C)(CCHO)(H)2	C[5](O[5]C[5])2(CCHH)2{4|H<1>}	H(CC[5]CH)	108.4060	0.030	2	108.4060	0.001	2	108.0227	0.771	51	108.0788	0.655	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(CC[3]HO)(H)2	C[5](O[5]C[5])2(CCHH)(CH3)	H(CC[5]CH)	C(C[5]O[5]2C)(CC[3]HO)(H)2	C[5](O[5]C[5])2(CCHH)(CH3){4|H<1>}	H(CC[5]CH)	108.2185	0.216	2	108.2185	0.047	2	108.0227	0.771	51	108.0788	0.655	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(CC[5]HH)(H)2	C[5](O[5]C[5])2(CCHH)2	H(CC[5]CH)	C(C[5]O[5]2C)(CC[5]HH)(H)2	C[5](O[5]C[5])2(CCHH)2{4|H<1>}	H(CC[5]CH)	108.8715	0.042	2	108.8715	0.002	2	108.0227	0.771	51	108.0788	0.655	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(CC[6]HH)(H)2	C[5](O[5]C[5])2(CCHH)(CH3)	H(CC[5]CH)	C(C[5]O[5]2C)(CC[6]HH)(H)2	C[5](O[5]C[5])2(CCHH)(CH3){4|H<1>}	H(CC[5]CH)	108.7025	0.425	6	108.7025	0.180	6	108.0227	0.771	51	108.0788	0.655	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(CC[6a]2O)(H)2	C[5](O[5]C[5])2(CCHH)(CH3)	H(CC[5]CH)	C(C[5]O[5]2C)(CC[6a]2O)(H)2	C[5](O[5]C[5])2(CCHH)(CH3){4|H<1>}	H(CC[5]CH)	107.4535	0.054	2	107.4535	0.003	2	108.0227	0.771	51	108.0788	0.655	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(CC[6a]CH)(H)2	C[5](O[5]C[5])2(CCHH)(CH3)	H(CC[5]CH)	C(C[5]O[5]2C)(CC[6a]CH)(H)2	C[5](O[5]C[5])2(CCHH)(CH3){4|H<1>}	H(CC[5]CH)	108.5245	0.006	2	108.5245	0.000	2	108.0227	0.771	51	108.0788	0.655	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(CH3)(H)2	C[5](O[5]C[5,5])2(CCHH)2	H(CC[5]CH)	C(C[5]O[5]2C)(CH3)(H)2	C[5](O[5]C[5,5])2(CCHH)2{1|C<3>,1|C<4>,2|H<1>}	H(CC[5]CH)	107.8774	0.940	11	107.8774	0.884	11	108.0227	0.771	51	108.0788	0.655	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(CH3)(H)2	C[5](O[5]C[5])2(CCHH)2	H(CC[5]CH)	C(C[5]O[5]2C)(CH3)(H)2	C[5](O[5]C[5])2(CCHH)2{1|C<4>,3|H<1>}	H(CC[5]CH)	107.2293	1.072	12	107.2293	1.149	12	108.0227	0.771	51	108.0788	0.655	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	S[5]-2:S[5]-2:C-4:C-4:	C-4:	C(C[5]S[5]2C)(CCHH)(H)2	C[5](S[5]C[5,6a])2(CCHH)2	H(CC[5]CH)	C(C[5]S[5]2C)(CCHH)(H)2	C[5](S[5]C[5,6a])2(CCHH)2{2|C<3>}	H(CC[5]CH)	108.2747	0.190	8	108.2747	0.036	8	108.2747	0.036	8	108.0788	0.655	62	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:4:3:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	O[5]-2:C-4:C[5]-3:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	C[5](O[5]C[5,6])(CC[5,5]HH)(C[5]C[5]C)(CCHH)	H(CC[5,5]C[5]H)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	C[5](O[5]C[5,6])(CC[5,5]HH)(C[5]C[5]C)(CCHH){1|C<4>,1|O<1>,1|O<2>}	H(CC[5,5]C[5]H)	107.4515	0.033	2	107.4515	0.001	2	107.4515	0.001	2	107.9543	0.338	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	2:4:3:4:	4:	C[5]-4:C-4:H-1:H-1:	O[5]-2:C-4:C[5]-3:C-4:	C-4:	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	C[5](O[5]C[5,6])(CC[5,5]HH)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	C[5](O[5]C[5,6])(CC[5,5]HH)(C[5]C[5]C)(CCHH){1|C<4>,1|O<1>,1|O<2>}	H(CC[5]CH)	108.4570	0.033	2	108.4570	0.001	2	108.4570	0.001	2	107.9543	0.338	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:2:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:O[5]-2:O-2:C-4:	C-4:	C(C[5]C[5,6a]O[5]O)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[6])(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]O)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[6])(CCHH){2|C<3>,3|H<1>}	H(CC[5]CH)	108.6760	0.018	2	108.6760	0.000	2	108.6760	0.000	2	108.5053	0.078	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:2:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5a]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[5a]O[5]2)(CC[5]HH)(H)2	C[5](C[5a]C[5a]S[5a])(O[5]C[5])2(CCHH)	H(CC[5]CH)	C(C[5]C[5a]O[5]2)(CC[5]HH)(H)2	C[5](C[5a]C[5a]S[5a])(O[5]C[5])2(CCHH){2|C<3>,5|H<1>}	H(CC[5]CH)	108.4728	0.346	4	108.4728	0.120	4	108.4728	0.120	4	108.5053	0.078	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:2:4:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[6a]O[5]2)(CCHH)(H)2	C[5](C[6a]C[6a]2)(O[5]C[5])2(CCHH)	H(CC[5]CH)	C(C[5]C[6a]O[5]2)(CCHH)(H)2	C[5](C[6a]C[6a]2)(O[5]C[5])2(CCHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.2940	0.000	1	108.2940	0.000	1	108.2940	0.000	1	108.5053	0.078	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:1:	4:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CC[3]HH)(H)	H(CC[3]C[5]H)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CC[3]HH)(H){1|C<4>,1|O<1>}	H(CC[3]C[5]H)	108.6170	0.295	4	108.6170	0.087	4	108.6170	0.087	4	108.5694	0.624	54	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CCFF)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CCFF)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.7400	0.000	1	108.7400	0.000	1	108.4069	1.084	24	108.5694	0.624	54	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.5460	0.014	2	108.5460	0.000	2	108.4069	1.084	24	108.5694	0.624	54	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CC[6a]HN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CC[6a]HN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.2350	0.006	2	108.2350	0.000	2	108.4069	1.084	24	108.5694	0.624	54	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CC[6a]HO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CC[6a]HO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.5950	0.055	2	108.5950	0.003	2	108.4069	1.084	24	108.5694	0.624	54	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|H<1>,1|O<2>,3|C<3>}	H(CC[5]CH)	109.0010	0.070	6	109.0010	0.005	6	108.4069	1.084	24	108.5694	0.624	54	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|Cl<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.8620	0.025	2	107.9645	2.848	8	108.4069	1.084	24	108.5694	0.624	54	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	107.6653	1.886	6	107.9645	2.848	8	108.4069	1.084	24	108.5694	0.624	54	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(CCHH)(H){2|H<1>,3|C<3>}	H(CC[5]CH)	108.8150	0.000	1	108.8150	0.000	1	108.4069	1.084	24	108.5694	0.624	54	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CHHO)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]O[5]H)(CHHO)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(CCHH)(H){1|O<1>,1|O<2>,2|C<3>}	H(CC[5]CH)	107.8685	0.514	2	107.8685	0.264	2	108.4069	1.084	24	108.5694	0.624	54	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]O[5]O)(N[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]O[5]O)(N[5]C[5])(CCHH)(H){1|O<1>}	H(CC[5]CH)	109.2790	0.000	1	109.2790	0.000	1	109.2790	0.000	1	108.5694	0.624	54	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	H(CC[5]CH)	107.9575	0.029	2	107.9575	0.001	2	108.4660	0.119	8	108.5694	0.624	54	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	H(CC[5]CH)	108.8290	0.016	2	108.8290	0.000	2	108.4660	0.119	8	108.5694	0.624	54	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	H(CC[5]CH)	108.4535	0.005	2	108.4535	0.000	2	108.4660	0.119	8	108.5694	0.624	54	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	H(CC[5]CH)	108.6240	0.035	2	108.6240	0.001	2	108.4660	0.119	8	108.5694	0.624	54	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]N[5]O[5]H)(CCHH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5]O[5]H)(CCHH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CH)	108.8425	0.023	2	108.8425	0.001	2	108.8425	0.001	2	108.5694	0.624	54	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5]N[5]O)(O[5]C[5])(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5]N[5]O)(O[5]C[5])(CC[5]HH)(H){1|C<3>,1|O<1>}	H(CC[5]2H)	108.1350	0.098	3	108.1350	0.010	3	108.0348	0.024	5	108.5694	0.624	54	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]HH)(H){1|C<4>,1|O<1>}	H(CC[5]2H)	107.8845	0.023	2	107.8845	0.001	2	108.0348	0.024	5	108.5694	0.624	54	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:1:	4:	C[5]-4:N-4:H-1:H-1:	O[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]2H)(NMgCC)(H)2	C[5](O[5]C[5]Mg)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]O[5]2H)(NMgCC)(H)2	C[5](O[5]C[5]Mg)(O[5]C[5])(CHHN)(H){4|H<1>}	H(CC[5]HN)	109.2104	0.272	8	109.2104	0.074	8	109.2104	0.074	8	108.5694	0.624	54	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:1:	4:	C[5]-4:S-4:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(SFOO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5,6a]O[5]H)(SFOO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HS)	108.9835	0.033	2	108.9835	0.001	2	108.9835	0.001	2	108.5694	0.624	54	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(CC3)(H)2	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CC3)(H)2	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHH)(OH){1|H<1>,3|C<4>}	H(CC[5]CH)	108.1485	0.016	2	108.1485	0.000	2	108.2571	0.133	9	108.2571	0.133	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(CCHH)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OC)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CCHH)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OC){1|C<3>,1|H<1>}	H(CC[5]CH)	108.7980	0.000	1	108.7980	0.000	1	108.2571	0.133	9	108.2571	0.133	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(OC)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(OC){1|C<4>,1|O<1>}	H(CC[5]CH)	107.9275	0.057	2	107.9275	0.003	2	108.2571	0.133	9	108.2571	0.133	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OH){1|C<4>,1|O<1>}	H(CC[5]CH)	107.9870	0.007	2	107.9870	0.000	2	108.2571	0.133	9	108.2571	0.133	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(CC[5,6]CH)(H)2	C[5](C[5]C[5]C)(O[5]O[5])(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CC[5,6]CH)(H)2	C[5](C[5]C[5]C)(O[5]O[5])(CCHH)(OH){2|C<4>}	H(CC[5]CH)	108.6950	0.013	2	108.6950	0.000	2	108.2571	0.133	9	108.2571	0.133	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:3:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:S[5]-2:C-4:C-3:	C-4:	C(C[5]N[5]S[5]C)(CC[6a]CH)(H)2	C[5](N[5]N[5]C)(S[5]C[5])(CCHH)(CCH)	H(CC[5]CH)	C(C[5]N[5]S[5]C)(CC[6a]CH)(H)2	C[5](N[5]N[5]C)(S[5]C[5])(CCHH)(CCH){1|N<3>}	H(CC[5]CH)	107.7270	0.010	2	107.7270	0.000	2	107.7270	0.000	2	107.7270	0.000	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[3]C[3]O[3]H)(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[3]HH)(CCHH)	H(CC[3]C[5]H)	C(C[3]C[3]O[3]H)(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[3]HH)(CCHH){2|C<3>}	H(CC[3]C[5]H)	108.7093	0.045	6	108.7093	0.002	6	108.7093	0.002	6	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:F-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CH3)(F)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CCFH)(CH3)	H(CC[5]CF)	C(C[5]C[5]O[5]C)(CH3)(F)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CCFH)(CH3){1|C<3>,1|O<1>}	H(CC[5]CF)	108.1015	0.684	2	108.1015	0.468	2	108.1015	0.468	2	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]O[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)2{1|H<1>,3|C<3>}	H(CC[5]CH)	108.5115	0.090	4	108.5115	0.008	4	108.5115	0.008	4	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]O)(N[5]C[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]O)(N[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>}	H(CC[5]CH)	108.5535	0.022	2	108.5535	0.000	2	108.5535	0.000	2	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCCH)(H)2	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCCH)(H)2	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCHH)(CH3){1|H<1>,3|C<3>}	H(CC[5]CH)	107.6495	0.064	2	107.6495	0.004	2	108.0096	1.962	27	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)2{1|C<3>,1|C<4>,1|N<3>}	H(CC[5]CH)	108.4758	0.137	4	108.4758	0.019	4	108.0096	1.962	27	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>}	H(CC[5]CH)	108.3298	0.209	4	108.3298	0.044	4	108.0096	1.962	27	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)2{1|C<3>,1|O<1>}	H(CC[5]CH)	106.0528	1.070	4	106.0528	1.146	4	108.0096	1.962	27	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CH3)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CH3)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH){2|C<3>}	H(CC[5]CH)	108.6615	0.008	2	108.6615	0.000	2	108.0096	1.962	27	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CH3)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CH3)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)2{1|H<1>,1|O<1>}	H(CC[5]CH)	106.9665	4.084	2	106.9665	16.675	2	108.0096	1.962	27	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CH3)(H)2	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCHH)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CH3)(H)2	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCHH)2{1|S<1>,4|C<3>}	H(CC[5]CH)	108.3417	0.087	7	108.3417	0.008	7	108.0096	1.962	27	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CHHS)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CHHS)(H)2	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)2{1|H<1>,1|O<1>}	H(CC[5]CH)	109.9390	1.601	2	109.9390	2.563	2	108.0096	1.962	27	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:O[5]-2:C[6]-4:C-4:	C-4:	C(C[5]C[5]C[6]O[5])(CC[6]CH)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]2H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]C[6]O[5])(CC[6]CH)(H)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]2H)(CCHH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(CC[5]CH)	108.4423	0.354	4	108.4423	0.126	4	108.4423	0.126	4	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]2C)(CCHH)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)2	H(CC[5]CH)	C(C[5]N[5]2C)(CCHH)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)2{1|S<1>,2|C<3>}	H(CC[5]CH)	108.6223	0.199	3	108.6223	0.040	3	108.6355	0.027	4	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]N[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)(CH3){1|S<1>,2|C<3>}	H(CC[5]CH)	108.6750	0.000	1	108.6750	0.000	1	108.6355	0.027	4	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(CCHH)(H)2	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH)	H(CC[5]CH)	C(C[5]N[5]O[5]C)(CCHH)(H)2	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH){2|C<3>}	H(CC[5]CH)	108.5470	0.479	4	108.5470	0.229	4	108.7734	0.226	9	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(CCHH)(H)2	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCHH)(CFFH)	H(CC[5]CH)	C(C[5]N[5]O[5]C)(CCHH)(H)2	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCHH)(CFFH){2|C<3>}	H(CC[5]CH)	108.9315	0.019	2	108.9315	0.000	2	108.7734	0.226	9	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(CCHH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]N[5]O[5]C)(CCHH)(H)2	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	H(CC[5]CH)	108.2650	0.000	1	108.2650	0.000	1	108.7734	0.226	9	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(O[5]C[5])(CCHH)(CCl3)	H(CC[5]CH)	C(C[5]N[5]O[5]C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(O[5]C[5])(CCHH)(CCl3){2|C<3>,4|H<1>}	H(CC[5]CH)	109.3225	0.036	2	109.3225	0.001	2	108.7734	0.226	9	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:S[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]S[5]C)(CC3)(H)2	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]N[5]S[5]C)(CC3)(H)2	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(CCHH)(CH3){2|C<3>}	H(CC[5]CH)	106.1760	0.033	2	106.1760	0.001	2	107.0973	1.132	4	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:S[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]S[5]C)(CC[6a]CH)(H)2	C[5](N[5]N[5]C)(S[5]C[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]N[5]S[5]C)(CC[6a]CH)(H)2	C[5](N[5]N[5]C)(S[5]C[5])(CCHH)(CH3){1|N<3>}	H(CC[5]CH)	108.0185	0.013	2	108.0185	0.000	2	107.0973	1.132	4	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]O[5]C)2(H)2	C[5](N[5]C[6a]C[5])(O[5]N[5])(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]N[5]O[5]C)2(H)2	C[5](N[5]C[6a]C[5])(O[5]N[5])(CC[5]HH)(CH3){3|C<3>}	H(CC[5]2H)	107.7797	0.049	3	107.7797	0.002	3	107.7797	0.002	3	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:2:4:4:	4:	C[6]-4:C[5]-4:H-1:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(H)2	C[5](C[5]N[5]O)(O[5]C[5])(CC[6]HH)(CH3)	H(CC[5]C[6]H)	C(C[6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(H)2	C[5](C[5]N[5]O)(O[5]C[5])(CC[6]HH)(CH3){1|H<1>,1|O<1>}	H(CC[5]C[6]H)	108.5980	0.006	2	108.5980	0.000	2	108.5980	0.000	2	108.2398	1.060	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:2:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:S-2:C-4:	C-4:	C(C[5]C[5,6a]C[5]S)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SC[6a])(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]S)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SC[6a])(CCHH){1|H<1>,2|C<3>}	H(CC[5]CH)	109.0960	0.007	2	109.0960	0.000	2	109.0960	0.000	2	108.7406	0.210	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:2:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:N-2:C-4:	C-4:	C(C[5]C[5,6a]N[5]N)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[5a])(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]N)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(NC[5a])(CCHH){1|H<1>,1|N<2>,2|C<3>}	H(CC[5]CH)	108.9300	0.153	2	108.9300	0.023	2	108.9300	0.023	2	108.7406	0.210	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:2:4:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]CH)	108.0150	0.007	2	108.0150	0.000	2	108.0150	0.000	2	108.7406	0.210	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:2:4:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[6a]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]N[5]O[5])(CC[6a]HN)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH)	H(CC[5]CH)	C(C[5]C[6a]N[5]O[5])(CC[6a]HN)(H)2	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH){2|H<1>,5|C<3>}	H(CC[5]CH)	108.9215	0.029	2	108.9215	0.001	2	108.9215	0.001	2	108.7406	0.210	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[5,5a]C[5,6a]C[6a])(CF3)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CCHH)	H(CC[5]CH)	C(C[5]C[5,5a]C[5,6a]C[6a])(CF3)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CCHH){3|H<1>,7|C<3>}	H(CC[5]CH)	108.1175	0.015	2	108.1175	0.000	2	108.1175	0.000	2	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O[5])(CCHH){1|H<1>,3|C<4>,4|C<3>}	H(CC[5]CH)	108.5280	0.004	2	108.5280	0.000	2	108.5280	0.000	2	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]2N[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]2N[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH){1|Pd<4>,1|N<3>,3|H<1>,5|C<3>}	H(CC[5]CH)	108.8520	0.007	2	108.8520	0.000	2	109.0406	0.015	14	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]2N[5])(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]2N[5])(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH){1|Pd<4>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(CC[5]CH)	108.9780	0.031	4	109.0721	0.010	12	109.0406	0.015	14	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5,6a]2N[5])(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]2N[5])(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH){1|Pd<4>,1|N<3>,3|H<1>,5|C<3>}	H(CC[5]CH)	109.1191	0.089	8	109.0721	0.010	12	109.0406	0.015	14	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.5075	0.012	2	108.5075	0.000	2	108.5075	0.000	2	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]2)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)(CCHH){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(CC[5]CH)	108.8490	0.000	1	108.8490	0.000	1	108.8490	0.000	1	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(CH3)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Zn)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]N)(CH3)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Zn)(CCHH){1|H<1>,3|C<3>}	H(CC[5]CH)	107.9630	0.033	2	107.9630	0.001	2	108.2670	0.124	4	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CCHH){1|H<1>,2|C<3>}	H(CC[5]CH)	108.5710	0.024	2	108.5710	0.001	2	108.2670	0.124	4	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(CCHH){3|H<1>,4|C<3>}	H(CC[5]CH)	108.1130	0.033	2	108.1130	0.001	2	108.1380	0.064	6	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CHPP)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[6a]C[5])(CHPP)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	H(CC[5]CH)	107.8710	0.061	2	107.8710	0.004	2	108.1380	0.064	6	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CN[5]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[6a]C[5])(CN[5]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	H(CC[5]CH)	108.4300	0.031	2	108.4300	0.001	2	108.1380	0.064	6	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]N[5a]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5a]C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CCHH){2|C<4>,2|H<1>,4|C<3>}	H(CC[5]CH)	108.3350	0.049	2	108.3350	0.002	2	108.3350	0.002	2	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-3:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH){1|H<1>,2|C<4>}	H(CC[5]CH)	108.5220	0.013	2	108.5440	0.002	4	108.5440	0.002	4	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-3:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH){3|C<4>}	H(CC[5]CH)	108.5660	0.072	2	108.5440	0.002	4	108.5440	0.002	4	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(CCHH)(H)2	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]2)(CCHH)(H)2	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CCHH){2|H<1>,8|C<3>}	H(CC[5]CH)	108.8055	0.015	2	108.8055	0.000	2	108.8055	0.000	2	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(CCHH){1|Ru<8>,3|H<1>,4|C<3>}	H(CC[5]CH)	108.5910	0.078	2	108.5910	0.006	2	108.5910	0.006	2	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5a]C[5]N[5])(CCHH)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5a]C[5]N[5])(CCHH)(H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH){1|H<1>,1|N<3>,4|C<3>}	H(CC[5]CH)	108.3735	0.093	2	108.3735	0.009	2	108.2267	0.016	6	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5a]C[5]N[5])(CHHN)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5a]C[5]N[5])(CHHN)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a]H)(CCHH){1|C<4>,1|H<1>,4|C<3>}	H(CC[5]CH)	108.1375	0.057	2	108.1375	0.003	2	108.2267	0.016	6	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[5a]C[5]N[5])(CN[5]HH)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH)	H(CC[5]CH)	C(C[5]C[5a]C[5]N[5])(CN[5]HH)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH){1|C<4>,1|H<1>,4|C<3>}	H(CC[5]CH)	108.1690	0.035	2	108.1690	0.001	2	108.2267	0.016	6	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH){1|O<1>,2|C<3>,3|H<1>}	H(CC[5]CH)	108.8077	0.096	15	108.7731	0.018	17	108.7748	0.017	18	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH){1|O<1>,2|H<1>,3|C<3>}	H(CC[5]CH)	108.5135	0.036	2	108.7731	0.018	17	108.7748	0.017	18	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(CH3)(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]N[5])(CH3)(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]C)(CCHH){3|C<3>,3|H<1>}	H(CC[5]CH)	108.8040	0.000	1	108.8040	0.000	1	108.7748	0.017	18	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[5]HH){3|H<1>,5|C<3>}	H(CC[5]2H)	108.1748	0.046	4	108.1748	0.002	4	108.1748	0.002	4	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]N[5]2)(C[5]N[5]2C)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[6a]N[5]2)(C[5]N[5]2C)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CC[5]HH){2|H<1>,7|C<3>}	H(CC[5]2H)	107.9665	0.090	4	107.9665	0.008	4	107.9665	0.008	4	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:3:4:	4:	C[5]-4:Si-4:H-1:H-1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(SiC3)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CSiHH)	H(CC[5]SiH)	C(C[5]C[5,6a]C[5]N)(SiC3)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CSiHH){1|H<1>,3|C<3>}	H(CC[5]SiH)	106.3841	0.337	12	106.3841	0.114	12	106.3841	0.114	12	108.2558	0.718	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5a]C[5]H)(CH3)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5a]C[5]H)(CH3)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5])(CCHH)(H){1|S<4>,5|C<3>}	H(CC[5]CH)	108.9820	0.034	2	108.9820	0.001	2	108.9820	0.001	2	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[5,6]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]2H)(CHHP)(H)2	C[5](C[5,6]C[5,6]C[6])2(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]2H)(CHHP)(H)2	C[5](C[5,6]C[5,6]C[6])2(CCHH)(H){2|C<3>,2|H<1>,2|N<3>}	H(CC[5]CH)	108.4945	0.067	2	108.4945	0.005	2	108.4945	0.005	2	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CCHH)(H){1|O<1>,4|C<3>}	H(CC[5]CH)	108.5655	0.005	2	108.5655	0.000	2	108.5655	0.000	2	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]2H)(CC[6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]2H)(CC[6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H){2|H<1>,4|C<3>}	H(CC[5]CH)	108.2605	0.030	2	108.2605	0.001	2	108.6242	0.071	15	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]2H)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]2H)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H){2|H<1>,4|C<3>}	H(CC[5]CH)	108.6836	0.226	9	108.6836	0.051	9	108.6242	0.071	15	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]2H)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]2H)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H){2|H<1>,4|C<3>}	H(CC[5]CH)	108.4110	0.040	2	108.4110	0.002	2	108.6242	0.071	15	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]2H)(CHHP)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]2H)(CHHP)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H){2|C<3>,2|H<1>,2|N<2>}	H(CC[5]CH)	108.9340	0.035	2	108.9340	0.001	2	108.6242	0.071	15	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C-4:	C(C[5]C[5,6a]C[5]Cl)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(Cl)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]Cl)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(Cl){2|C<4>,4|C<3>}	H(CC[5]CH)	108.6455	0.013	2	108.6455	0.000	2	108.6455	0.000	2	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C-4:	C(C[5]C[5,6a]C[5]F)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(F)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]F)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(F){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.1690	0.000	1	108.1690	0.000	1	108.4790	0.072	3	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C-4:	C(C[5]C[5,6a]C[5]F)(CHSS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]F)(CHSS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F){1|H<1>,3|C<3>}	H(CC[5]CH)	108.6340	0.007	2	108.6340	0.000	2	108.4790	0.072	3	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)(H){2|C<3>,2|H<1>}	H(CC[5]CH)	108.7865	0.047	2	108.7865	0.002	2	108.8918	0.016	4	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.9970	0.044	2	108.9970	0.002	2	108.8918	0.016	4	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:N[5,5a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCHH)(H){1|N<2>,2|H<1>,3|C<3>}	H(CC[5]CH)	108.5207	0.038	3	108.5207	0.001	3	108.5207	0.001	3	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(CCCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(CCCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	H(CC[5]CH)	108.0950	0.018	2	108.0950	0.000	2	108.0950	0.000	2	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:O-1:	C-4:	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)(O)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)(O){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	107.7365	2.493	2	107.7365	6.213	2	107.7365	6.213	2	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(H){1|C<3>,2|C<4>}	H(CC[5]CH)	108.4950	0.007	2	108.4950	0.000	2	108.3702	0.021	4	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(H){2|C<4>,3|C<3>}	H(CC[5]CH)	108.2455	0.005	2	108.2455	0.000	2	108.3702	0.021	4	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>}	H(CC[5]CH)	108.2560	0.044	2	108.2560	0.002	2	108.6849	0.159	55	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>}	H(CC[5]CH)	108.5330	0.000	1	108.5330	0.000	1	108.6849	0.159	55	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]CH)	108.1695	0.030	2	108.1695	0.001	2	108.6849	0.159	55	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]CH)	108.4155	0.028	2	108.4155	0.001	2	108.6849	0.159	55	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H){1|H<1>,1|S<1>}	H(CC[5]CH)	108.4800	0.065	3	108.4800	0.004	3	108.6849	0.159	55	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|N<2>}	H(CC[5]CH)	108.8210	0.000	1	108.5970	0.038	3	108.6849	0.159	55	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H){1|C<4>,1|N<2>}	H(CC[5]CH)	108.4850	0.028	2	108.5970	0.038	3	108.6849	0.159	55	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]O[5]O)(N[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]O[5]O)(N[5]C[5]H)(CCHH)(H){1|O<1>}	H(CC[5]CH)	107.6395	0.159	2	107.6395	0.025	2	108.6849	0.159	55	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]S[5]O)(N[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]S[5]O)(N[5]C[5]H)(CCHH)(H){1|O<1>}	H(CC[5]CH)	108.6628	0.335	4	108.6628	0.112	4	108.6849	0.159	55	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCO)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCO)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>}	H(CC[5]CH)	108.6450	0.000	1	108.6450	0.000	1	108.6849	0.159	55	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.9690	0.214	5	108.9690	0.046	5	108.6849	0.159	55	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>}	H(CC[5]CH)	108.6273	0.051	4	108.6273	0.003	4	108.6849	0.159	55	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H){1|H<1>,1|O<1>}	H(CC[5]CH)	109.0948	0.574	4	109.0948	0.330	4	108.6849	0.159	55	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]O[5]O)(N[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]O[5]O)(N[5]C[5]H)(CCHH)(H){1|O<1>}	H(CC[5]CH)	109.2560	0.000	1	109.2560	0.000	1	108.6849	0.159	55	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)(H){2|C<4>,2|H<1>}	H(CC[5]CH)	108.6100	0.045	2	108.6100	0.002	2	108.6849	0.159	55	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|H<1>,2|C<3>}	H(CC[5]CH)	109.0125	0.079	6	109.0125	0.006	6	108.6849	0.159	55	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHS)(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CHHS)(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H){1|O<1>}	H(CC[5]CH)	108.5680	0.000	1	108.7202	0.120	13	108.6849	0.159	55	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHS)(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CHHS)(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H){2|C<4>}	H(CC[5]CH)	108.7329	0.359	12	108.7202	0.120	13	108.6849	0.159	55	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5,5,6]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,5,6]C[5]H)(CCCH)(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]N[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5,5,6]C[5]H)(CCCH)(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]N[5]O)(CCHH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>}	H(CC[5]CH)	108.2350	0.007	2	108.2350	0.000	2	108.2350	0.000	2	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5,5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(CC[5]CH)	109.1775	0.008	2	108.8123	0.178	4	108.8123	0.178	4	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5,5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.4470	0.035	2	108.8123	0.178	4	108.8123	0.178	4	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5,6]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,6]N[5]H)(CCHH)(H)2	C[5](N[5,6]C[5,6]C[6])(N[5]N[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5,6]N[5]H)(CCHH)(H)2	C[5](N[5,6]C[5,6]C[6])(N[5]N[5]C)(CCHH)(H){1|H<1>,2|C<3>}	H(CC[5]CH)	108.9175	0.025	2	108.9175	0.001	2	108.9175	0.001	2	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](N[5]C[5]Br)(C[5]N[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](N[5]C[5]Br)(C[5]N[5]O)(CCHH)(H){1|Br<1>,1|O<1>}	H(CC[5]CH)	108.1090	0.000	1	108.1090	0.000	1	108.1090	0.000	1	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]N[5]2H)(CCHH)(H)2	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5]2H)(CCHH)(H)2	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CCHH)(H){4|C<3>}	H(CC[5]CH)	108.6520	0.040	2	108.6520	0.002	2	108.6520	0.002	2	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]2C)(C[5]C[5,6a]2H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5,6a]2C)(C[5]C[5,6a]2H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(H){2|H<1>,4|C<3>}	H(CC[5]2H)	108.3860	1.844	3	108.3860	3.401	3	108.4023	1.300	7	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]2H)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5,6a]2H)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(H){2|H<1>,4|C<3>}	H(CC[5]2H)	108.4145	0.577	4	108.4145	0.333	4	108.4023	1.300	7	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(H){2|C<3>,2|H<1>}	H(CC[5]2H)	108.8010	0.021	4	108.8010	0.000	4	108.8010	0.000	4	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:S-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5,5]H)(SC[6a]OO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5,6a]N[5,5]H)(SC[6a]OO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CHHS)(H){1|C<4>,2|H<1>,4|C<3>}	H(CC[5]HS)	110.1635	1.398	4	110.1635	1.954	4	110.1635	1.954	4	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:S-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(SC[6a]OO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5,6a]N[5]H)(SC[6a]OO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HS)	107.5010	0.021	2	107.5010	0.000	2	107.8964	0.298	5	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:S-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(SC[6a]OO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5,6a]N[5]H)(SC[6a]OO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HS)	107.4960	0.000	1	107.4960	0.000	1	107.8964	0.298	5	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:1:	4:	C[5]-4:S-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(SFOO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5,6a]N[5]H)(SFOO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]HS)	108.4920	0.089	2	108.4920	0.008	2	107.8964	0.298	5	108.6397	0.382	127	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(CC[5]CH)	108.4045	0.021	2	108.4045	0.000	2	108.4891	0.028	14	107.5928	5.135	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	H(CC[5]CH)	108.3582	0.160	4	108.3582	0.026	4	108.4891	0.028	14	107.5928	5.135	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(CC[5]CH)	108.6065	0.026	2	108.6065	0.001	2	108.4891	0.028	14	107.5928	5.135	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CCHH)(OH){1|H<1>,1|N<3>,3|C<3>}	H(CC[5]CH)	108.6290	0.047	2	108.6290	0.002	2	108.4891	0.028	14	107.5928	5.135	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.7920	0.000	1	108.7920	0.000	1	108.4891	0.028	14	107.5928	5.135	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CCHH)(OH){2|H<1>,4|C<3>}	H(CC[5]CH)	108.3000	0.000	1	108.3000	0.000	1	108.4891	0.028	14	107.5928	5.135	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CN[5]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O)(CN[5]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)(OH){1|H<1>,4|C<3>}	H(CC[5]CH)	108.5215	0.029	2	108.5215	0.001	2	108.4891	0.028	14	107.5928	5.135	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]O)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)(OH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	103.5185	4.313	4	103.5185	18.605	4	105.0963	18.570	6	107.5928	5.135	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]N[5]O)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]O)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(OH){1|H<1>,1|O<1>,4|C<3>}	H(CC[5]CH)	108.2520	2.676	2	108.2520	7.159	2	105.0963	18.570	6	107.5928	5.135	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(CCCH)(H)2	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(OC)	H(CC[5]CH)	C(C[5]C[5]N[5]O)(CCCH)(H)2	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(OC){2|C<3>}	H(CC[5]CH)	107.6535	0.013	2	107.6535	0.000	2	107.8628	0.160	9	107.5928	5.135	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(CCCH)(H)2	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]N[5]O)(CCCH)(H)2	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(OH){2|C<3>}	H(CC[5]CH)	107.5780	0.128	4	107.5780	0.016	4	107.8628	0.160	9	107.5928	5.135	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(CH3)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]N[5]O)(CH3)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHH)(OH){1|H<1>,1|O<1>}	H(CC[5]CH)	108.3445	0.015	2	108.3445	0.000	2	107.8628	0.160	9	107.5928	5.135	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(CHHN)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]N[5]O)(CHHN)(H)2	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CCHH)(OH){2|C<3>}	H(CC[5]CH)	108.4570	0.000	1	108.4570	0.000	1	107.8628	0.160	9	107.5928	5.135	29	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(COO){2|H<1>,4|C<3>}	H(CC[5]CH)	108.9665	0.194	4	108.9665	0.038	4	108.9665	0.038	4	108.6610	0.116	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(CCCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]N)(CCCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.1360	0.079	2	108.1360	0.006	2	108.5392	0.137	5	108.6610	0.116	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]N)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.7910	0.006	2	108.7910	0.000	2	108.5392	0.137	5	108.6610	0.116	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS){2|C<3>,2|C<4>}	H(CC[5]CH)	108.8420	0.000	1	108.8420	0.000	1	108.5392	0.137	5	108.6610	0.116	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]N[5]O)(N[5]C[5]O)(CCHH)(CNO)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]N[5]O)(N[5]C[5]O)(CCHH)(CNO){1|C<4>,1|O<1>}	H(CC[5]CH)	108.7270	0.011	2	108.7270	0.000	2	108.7270	0.000	2	108.6610	0.116	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(CCH)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(CCH){1|C<4>,1|O<1>,3|C<3>}	H(CC[5]CH)	108.2885	0.009	2	108.2885	0.000	2	108.2885	0.000	2	108.6610	0.116	13	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[3]-4:C[5]-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[3]C[6a]C[3]N[3])(C[5]N[5]2C)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[3]HH)(CH3)	H(CC[3]C[5]H)	C(C[3]C[6a]C[3]N[3])(C[5]N[5]2C)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[3]HH)(CH3){5|C<3>}	H(CC[3]C[5]H)	108.8660	0.021	2	108.8660	0.000	2	108.8660	0.000	2	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C-4:	C(C[5]C[5,5a]2C)(CH3)(H)2	C[5](C[5,5a]C[5,5a]C[5a])2(CCHH)2	H(CC[5]CH)	C(C[5]C[5,5a]2C)(CH3)(H)2	C[5](C[5,5a]C[5,5a]C[5a])2(CCHH)2{2|C<3>,2|H<1>,2|S<2>}	H(CC[5]CH)	108.3851	0.211	10	108.3851	0.044	10	108.3851	0.044	10	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	H(CC[5]CH)	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,1|O<2>,1|S<2>,3|C<3>}	H(CC[5]CH)	108.3319	0.163	7	108.2928	0.025	21	108.3478	0.041	28	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	H(CC[5]CH)	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|S<2>,2|H<1>,3|C<3>}	H(CC[5]CH)	108.2732	0.159	14	108.2928	0.025	21	108.3478	0.041	28	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	H(CC[5]CH)	C(C[5]C[5,5a]C[5,6a]C)(CCHH)(H)2	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,4|C<3>}	H(CC[5]CH)	108.5129	0.244	7	108.5129	0.060	7	108.3478	0.041	28	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[5,6]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]2C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6])2(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6]2C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6])2(CCHH)2{2|C<3>,2|H<1>,2|N<3>}	H(CC[5]CH)	108.3115	0.236	4	108.3115	0.056	4	108.3115	0.056	4	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CHHO)(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CHHO)(H)2	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CCHH)2{1|H<1>,1|O<2>,2|C<4>}	H(CC[5]CH)	108.9360	0.013	2	108.9360	0.000	2	108.9360	0.000	2	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(CCCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CCCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	H(CC[5]CH)	107.9935	0.046	4	107.9935	0.002	4	108.3972	0.723	356	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	H(CC[5]CH)	108.5294	0.195	15	108.5294	0.038	15	108.3972	0.723	356	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(CH3){2|H<1>,4|C<3>}	H(CC[5]CH)	108.4950	0.000	1	108.4950	0.000	1	108.3972	0.723	356	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	H(CC[5]CH)	108.2962	0.918	178	108.2962	0.843	178	108.3972	0.723	356	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CCHH){2|H<1>,4|C<3>}	H(CC[5]CH)	107.8852	2.943	4	107.8852	8.661	4	108.3972	0.723	356	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	H(CC[5]CH)	108.6357	0.110	6	108.6497	0.455	33	108.3972	0.723	356	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	H(CC[5]CH)	108.6528	0.746	27	108.6497	0.455	33	108.3972	0.723	356	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	H(CC[5]CH)	108.4104	0.330	97	108.4104	0.109	97	108.3972	0.723	356	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CCHH){2|H<1>,4|C<3>}	H(CC[5]CH)	108.0485	0.698	2	108.0485	0.487	2	108.3972	0.723	356	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CH3)(H)2	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,5|C<3>}	H(CC[5]CH)	108.9291	1.605	18	108.9291	2.575	18	108.3972	0.723	356	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]2C)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	H(CC[5]CH)	108.6675	0.079	4	108.6675	0.006	4	108.3972	0.723	356	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,6a]2C[5])(CCFF)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2C)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]2C[5])(CCFF)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2C)(CCHH){2|H<1>,8|C<3>}	H(CC[5]CH)	107.6310	0.021	4	107.6310	0.000	4	107.8310	0.200	5	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(CCHH){2|H<1>,8|C<3>}	H(CC[5]CH)	108.6310	0.000	1	108.6310	0.000	1	107.8310	0.200	5	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CBr3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CBr3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	106.9815	0.043	2	106.9815	0.002	2	108.3701	0.532	43	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	107.0383	0.121	6	107.0383	0.015	6	108.3701	0.532	43	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CH3){1|O<1>,1|O<2>,2|C<3>}	H(CC[5]CH)	108.5315	0.016	2	108.5315	0.000	2	108.3701	0.532	43	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.4560	0.213	3	108.4560	0.045	3	108.3701	0.532	43	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)2{1|H<1>,2|C<3>}	H(CC[5]CH)	108.9495	0.011	2	108.9495	0.000	2	108.3701	0.532	43	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.6250	0.007	2	108.6250	0.000	2	108.3701	0.532	43	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CC[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CC[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.7320	0.021	2	108.7320	0.000	2	108.3701	0.532	43	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.5990	0.017	2	108.5990	0.000	2	108.3701	0.532	43	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CHHO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.2015	0.486	4	108.2015	0.236	4	108.3701	0.532	43	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CN[5]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CN[5]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	H(CC[5]CH)	108.6760	0.037	2	108.6760	0.001	2	108.3701	0.532	43	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CSeHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CSeHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|H<1>,3|C<3>}	H(CC[5]CH)	108.8325	0.366	16	108.8325	0.134	16	108.3701	0.532	43	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]N[5]C)(CC[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]N[5]C)(CC[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)2{1|H<1>,2|C<3>,2|O<1>}	H(CC[5]CH)	106.9930	0.611	2	106.9930	0.373	2	108.0693	0.642	7	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.4998	0.241	5	108.4998	0.058	5	108.0693	0.642	7	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCHH)2{1|H<1>,2|C<3>}	H(CC[5]CH)	108.2533	0.131	4	108.2533	0.017	4	108.6301	0.115	34	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]N[5]O)2(CCCH)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]N[5]O)2(CCCH)(CCHH){2|C<3>}	H(CC[5]CH)	108.6835	0.006	2	108.6835	0.000	2	108.6301	0.115	34	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]C)2(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]C)2(CCHH)(CH3){1|O<1>,1|O<2>}	H(CC[5]CH)	108.3965	0.032	2	108.3965	0.001	2	108.6301	0.115	34	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)2{1|C<3>,2|C<4>}	H(CC[5]CH)	108.5168	0.247	8	108.5168	0.061	8	108.6301	0.115	34	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>}	H(CC[5]CH)	108.2500	0.013	2	108.2500	0.000	2	108.6301	0.115	34	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)2{1|Fe<5>,1|C<3>}	H(CC[5]CH)	108.6070	0.068	6	108.6070	0.005	6	108.6301	0.115	34	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2{1|C<4>,1|H<1>,3|C<3>}	H(CC[5]CH)	108.4650	0.031	2	108.4650	0.001	2	108.6301	0.115	34	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(CH3){1|C<3>}	H(CC[5]CH)	109.1306	0.157	8	109.1306	0.025	8	108.6301	0.115	34	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(CH3){1|C<4>,1|O<1>}	H(CC[5]CH)	108.1615	0.033	2	108.1615	0.001	2	108.1239	0.085	37	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2{1|C<4>,1|N<2>}	H(CC[5]CH)	107.5962	0.367	4	108.0655	0.095	22	108.1239	0.085	37	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2{1|C<4>,1|O<1>}	H(CC[5]CH)	108.1303	0.154	15	108.0655	0.095	22	108.1239	0.085	37	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2{1|H<1>,1|O<1>}	H(CC[5]CH)	108.3673	0.135	3	108.0655	0.095	22	108.1239	0.085	37	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]S)(N[5]C[5]H)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]S)(N[5]C[5]H)(CCHH)2{1|H<1>,1|S<1>}	H(CC[5]CH)	108.2613	0.135	4	108.2613	0.018	4	108.1239	0.085	37	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)2{1|C<4>,3|H<1>}	H(CC[5]CH)	108.1426	0.200	5	108.1426	0.040	5	108.1239	0.085	37	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)2{1|C<4>,1|H<1>}	H(CC[5]CH)	107.8755	0.053	2	107.8755	0.003	2	108.1239	0.085	37	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CHHS)(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CHHS)(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(CH3){2|C<4>}	H(CC[5]CH)	108.6560	0.011	2	108.6560	0.000	2	108.1239	0.085	37	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:C-4:	C-4:	C(C[5]N[5,6]C[6a]C[5])(CHHO)(H)2	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]O[5]HH)(CCHH)	H(CC[5]CH)	C(C[5]N[5,6]C[6a]C[5])(CHHO)(H)2	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]O[5]HH)(CCHH){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	H(CC[5]CH)	108.4185	0.013	2	108.4185	0.000	2	108.4185	0.000	2	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[5]HH)2	H(CC[5]2H)	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[5]HH)2{1|C<2>,2|H<1>,3|C<3>}	H(CC[5]2H)	110.0312	5.375	4	110.0312	28.887	4	110.0312	28.887	4	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(C[5]C[5,6a]2H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CClHH)	H(CC[5]2H)	C(C[5]C[5,6a]2C)(C[5]C[5,6a]2H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CClHH){2|H<1>,4|C<3>}	H(CC[5]2H)	109.0185	0.013	2	109.0185	0.000	2	106.7798	20.645	35	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)(C[5]C[5,6a]2H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)2	H(CC[5]2H)	C(C[5]C[5,6a]2C)(C[5]C[5,6a]2H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)2{2|H<1>,4|C<3>}	H(CC[5]2H)	108.4160	3.690	2	108.4160	13.614	2	106.7798	20.645	35	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CCHH)	H(CC[5]2H)	C(C[5]C[5,6a]2C)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CCHH){2|H<1>,4|C<3>}	H(CC[5]2H)	105.4304	5.909	6	105.4304	34.912	6	106.7798	20.645	35	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[5,6a]2C)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CH3){2|H<1>,4|C<3>}	H(CC[5]2H)	106.8902	0.215	11	106.8902	0.046	11	106.7798	20.645	35	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)2	H(CC[5]2H)	C(C[5]C[5,6a]2C)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)2{2|H<1>,4|C<3>}	H(CC[5]2H)	108.2769	7.722	8	108.2769	59.634	8	106.7798	20.645	35	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]2C)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5,6a]2C)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CC[5]HH){2|H<1>,4|C<3>}	H(CC[5]2H)	106.2955	2.070	2	106.2955	4.284	2	106.7798	20.645	35	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)2	H(CC[5]2H)	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)2{2|H<1>,4|C<3>}	H(CC[5]2H)	105.0610	2.021	2	105.0610	4.084	2	106.7798	20.645	35	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CC[5]HH){2|H<1>,4|C<3>}	H(CC[5]2H)	102.5610	1.068	2	102.5610	1.140	2	106.7798	20.645	35	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[6a]N[5]2)(C[5]N[5]2C)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[6a]N[5]2)(C[5]N[5]2C)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[5]HH)(CH3){5|C<3>}	H(CC[5]2H)	107.9415	0.069	4	107.9415	0.005	4	107.9415	0.005	4	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:P-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)2	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3)	H(CC[5]HP)	C(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)2	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3){1|H<1>,2|C<3>}	H(CC[5]HP)	107.3945	0.006	2	107.3945	0.000	2	107.3945	0.000	2	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:S-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:S-4:C-4:	C-4:	C(C[5]C[5,6a]2S)(SC[6a]OO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(SC[6a]OO)(CHHS)	H(CC[5]HS)	C(C[5]C[5,6a]2S)(SC[6a]OO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(SC[6a]OO)(CHHS){2|H<1>,4|C<3>}	H(CC[5]HS)	108.3605	0.045	2	108.3605	0.002	2	108.3605	0.002	2	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:S-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(SC[6a]OO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3)	H(CC[5]HS)	C(C[5]C[5,6a]C[5]C)(SC[6a]OO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HS)	107.7825	0.005	2	107.7825	0.000	2	108.0430	0.091	4	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:3:4:4:	4:	C[5]-4:S-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(SNOO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3)	H(CC[5]HS)	C(C[5]C[5,6a]C[5]C)(SNOO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]HS)	108.3035	0.045	2	108.3035	0.002	2	108.0430	0.091	4	108.2876	2.048	581	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:2:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5,6a]C[5]O[5])(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]O[5])(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(CC[5]CH)	108.6545	0.019	2	108.6545	0.000	2	108.6545	0.000	2	108.4062	0.194	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:2:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CCHH){1|C<3>}	H(CC[5]CH)	108.8427	0.186	4	108.8427	0.035	4	108.8427	0.035	4	108.4062	0.194	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:2:4:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(CC[5a]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]O[5])(CC[5a]HH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|O<1>,3|C<3>,3|H<1>}	H(CC[5]CH)	107.8800	0.008	2	107.8800	0.000	2	108.1137	0.073	4	108.4062	0.194	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:2:4:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(CFFH)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]O[5])(CFFH)(H)2	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(CC[5]CH)	108.3475	0.009	2	108.3475	0.000	2	108.1137	0.073	4	108.4062	0.194	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:2:4:	4:	C[5]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(C[6]C[6]2H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6]HH)	H(CC[5]C[6]H)	C(C[5]C[6a]C[5]O[5])(C[6]C[6]2H)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6]HH){1|O<1>,2|C<3>,4|H<1>}	H(CC[5]C[6]H)	107.8695	0.045	2	107.8695	0.002	2	107.8695	0.002	2	108.4062	0.194	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C-4:Br-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(CH3)(Br)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CBrCH)	H(CC[5]BrC)	C(C[5]C[6a]C[5]2)(CH3)(Br)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CBrCH){2|C<3>,6|H<1>}	H(CC[5]BrC)	107.5150	0.000	1	107.5150	0.000	1	107.5150	0.000	1	108.3408	1.559	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C-4:Br-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(CH3)(Br)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(CBrCH)	H(CC[5]BrC)	C(C[5]C[6a]C[5]N[5])(CH3)(Br)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(CBrCH){2|C<3>,6|H<1>}	H(CC[5]BrC)	108.5490	0.000	1	108.5490	0.000	1	108.5490	0.000	1	108.3408	1.559	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(CCHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]2)(CCHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CC[5]CH)	108.2920	0.293	4	108.2920	0.086	4	108.4915	0.147	6	108.3408	1.559	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]2)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CC[5]CH)	108.8905	0.043	2	108.8905	0.002	2	108.4915	0.147	6	108.3408	1.559	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(CCCH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]2)(CCCH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CCHH){2|C<3>,6|H<1>}	H(CC[5]CH)	107.6725	0.015	2	107.6725	0.000	2	107.6725	0.000	2	108.3408	1.559	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(CF3)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]N[5])(CF3)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CCHH){2|C<3>,2|C<4>,4|H<1>}	H(CC[5]CH)	107.7272	0.043	4	107.7272	0.002	4	107.7272	0.002	4	108.3408	1.559	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]C[6])(C[5]C[5,6]N[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(CC[5]HH)	H(CC[5]2H)	C(C[5]C[5,6a]C[5]C[6])(C[5]C[5,6]N[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(CC[5]HH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(CC[5]2H)	107.7952	0.127	5	107.7952	0.016	5	107.7952	0.016	5	108.3408	1.559	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:N-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(NH3)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CHHN)	H(CC[5]HN)	C(C[5]C[6a]C[5]N[5])(NH3)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CHHN){1|O<1>,2|C<3>,4|H<1>}	H(CC[5]HN)	111.6845	2.146	2	111.6845	4.606	2	111.6845	4.606	2	108.3408	1.559	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:3:4:	4:	C[5]-4:S-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(SC[6a]OO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CHHS)	H(CC[5]HS)	C(C[5]C[6a]C[5]2)(SC[6a]OO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CHHS){2|C<3>,6|H<1>}	H(CC[5]HS)	107.8860	0.000	1	107.8860	0.000	1	107.8860	0.000	1	108.3408	1.559	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:B-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(BC[6a]3)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H)	H(CC[5]BH)	C(C[5]C[5]N[5]H)(BC[6a]3)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H){1|H<1>,3|C<3>}	H(CC[5]BH)	107.0155	1.620	2	107.6947	1.490	4	107.6947	1.490	4	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:B-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(BC[6a]3)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H)	H(CC[5]BH)	C(C[5]C[5]N[5]H)(BC[6a]3)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H){1|Li<7>,3|C<3>}	H(CC[5]BH)	108.3740	0.024	2	107.6947	1.490	4	107.6947	1.490	4	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:Cl-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(Cl)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CClCH)(H)	H(CC[5]ClC)	C(C[5]C[5]2H)(CCHH)(Cl)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CClCH)(H){2|C<3>,3|C<4>}	H(CC[5]ClC)	107.0270	0.000	1	107.0270	0.000	1	107.0270	0.000	1	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(CCHH)(H){2|C<3>,4|C<4>}	H(CC[5]CH)	108.6560	0.081	2	108.6560	0.006	2	108.5200	0.071	9	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CHHO)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CHHO)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(H){2|H<1>,4|C<3>}	H(CC[5]CH)	108.4811	0.294	7	108.4811	0.086	7	108.5200	0.071	9	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5a]C[5]H)(CC[6a]HH)(H)2	C[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5a]C[5]H)(CC[6a]HH)(H)2	C[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	H(CC[5]CH)	108.8460	0.007	2	108.8460	0.000	2	108.8460	0.000	2	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]H)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CCHH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(CC[5]CH)	108.9500	0.013	2	108.9500	0.000	2	109.0323	0.009	4	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]H)(CHSS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(CHSS)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(CC[5]CH)	109.1145	0.011	2	109.1145	0.000	2	109.0323	0.009	4	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CC3)(H)2	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC3)(H)2	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	H(CC[5]CH)	107.3828	0.704	4	107.3828	0.496	4	108.7913	0.634	38	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|H<1>,3|C<3>}	H(CC[5]CH)	109.2428	0.414	4	109.2428	0.171	4	108.7913	0.634	38	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HH)(CCHH)(H){1|H<1>,2|C<3>}	H(CC[5]CH)	108.4250	0.048	2	108.4250	0.002	2	108.7913	0.634	38	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CCHH)(H){1|H<1>,1|N<2>,2|C<3>}	H(CC[5]CH)	110.2100	0.433	2	110.2100	0.187	2	108.7913	0.634	38	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)(H){1|H<1>,3|C<3>}	H(CC[5]CH)	108.5390	0.021	2	108.5390	0.000	2	108.7913	0.634	38	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(CCHH)(H){2|C<3>,3|H<1>}	H(CC[5]CH)	108.7270	0.000	1	108.7270	0.000	1	108.7913	0.634	38	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(H){1|H<1>,1|S<4>,2|C<3>}	H(CC[5]CH)	108.7430	0.181	9	108.7430	0.033	9	108.7913	0.634	38	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CC[5]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC[5]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	H(CC[5]CH)	108.9230	2.502	2	108.9230	6.259	2	108.7913	0.634	38	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CC[6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CC[6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CCHH)(H){1|H<1>,4|C<3>}	H(CC[5]CH)	109.2025	0.011	2	109.2025	0.000	2	108.7913	0.634	38	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CF3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CF3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(CCHH)(H){1|H<1>,2|C<3>}	H(CC[5]CH)	108.7690	0.000	1	108.7690	0.000	1	108.7913	0.634	38	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.8503	0.271	6	108.8503	0.073	6	108.7913	0.634	38	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]CH)	109.0370	0.011	2	109.0370	0.000	2	108.7913	0.634	38	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCHH)(H){2|C<3>,3|H<1>}	H(CC[5]CH)	109.6100	0.000	1	109.6100	0.000	1	108.7913	0.634	38	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]N[5]H)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(CCHH)(H){2|C<3>,3|H<1>}	H(CC[5]CH)	109.3355	0.023	2	109.3355	0.001	2	109.3355	0.001	2	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CCHH)(H){2|C<4>,2|H<1>}	H(CC[5]CH)	108.4830	0.014	2	108.4830	0.000	2	108.7413	0.115	27	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H){1|C<4>,2|C<3>}	H(CC[5]CH)	108.6817	0.552	7	108.6470	0.197	11	108.7413	0.115	27	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H){1|Ni<4>,1|C<3>,1|C<4>,1|O<1>}	H(CC[5]CH)	108.5863	0.199	4	108.6470	0.197	11	108.7413	0.115	27	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HN)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HN)(CCHH)(H){1|H<1>,4|C<3>}	H(CC[5]CH)	108.9404	0.192	8	108.9404	0.037	8	108.7413	0.115	27	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CCHH)(H){2|C<3>}	H(CC[5]CH)	108.8500	0.004	2	108.8500	0.000	2	108.7413	0.115	27	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HO)(H)2	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[5]HO)(H)2	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|O<2>}	H(CC[5]CH)	108.8795	0.022	2	108.8795	0.000	2	108.7413	0.115	27	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6]HH)(H)2	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6]HH)(H)2	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CCHH)(H){3|C<4>,3|H<1>}	H(CC[5]CH)	108.4755	0.008	2	108.4755	0.000	2	108.7413	0.115	27	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5,5]-3:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5,5]H)(CCCH)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]N[5,5]H)(CCCH)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>,3|O<1>}	H(CC[5]CH)	108.4355	0.073	2	108.4355	0.005	2	108.4355	0.005	2	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CBr2H)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5,5]C[5]H)(CBr2H)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(CC[5]CH)	108.9570	0.007	2	108.9570	0.000	2	108.8263	0.042	12	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5]CH)	108.6130	0.038	2	108.6130	0.001	2	108.8263	0.042	12	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CH)	109.0217	0.162	4	109.0217	0.026	4	108.8263	0.042	12	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CC[6a]HH)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5,5]C[5]H)(CC[6a]HH)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){2|C<4>,2|O<1>}	H(CC[5]CH)	108.6720	0.062	4	108.6720	0.004	4	108.8263	0.042	12	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(CC[6a]HH)(H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5,6]C[5]H)(CC[6a]HH)(H)2	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.4138	0.175	4	108.4138	0.031	4	108.4138	0.031	4	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6a]C[5]H)(CCHH)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5,6a]C[5]H)(CCHH)(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(H){1|O<1>,3|C<3>}	H(CC[5]CH)	109.1670	0.228	2	109.1670	0.052	2	109.1670	0.052	2	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCFF)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCFF)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){2|C<3>,4|H<1>}	H(CC[5]CH)	108.5870	0.000	1	108.5870	0.000	1	108.2819	0.972	22	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(CCHH)(H){1|Rh<6>,3|C<3>}	H(CC[5]CH)	106.2880	0.741	2	106.2880	0.549	2	108.2819	0.972	22	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CCHH)(H){1|Rh<6>,3|C<3>}	H(CC[5]CH)	107.8442	1.220	6	107.8442	1.490	6	108.2819	0.972	22	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CClCH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CClCH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]CH)	108.6475	0.006	2	108.6475	0.000	2	108.2819	0.972	22	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CF3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CF3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){2|C<3>,4|H<1>}	H(CC[5]CH)	108.6457	0.091	3	108.6457	0.008	3	108.2819	0.972	22	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](N[5]P[5,6]H)(C[5]O[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](N[5]P[5,6]H)(C[5]O[5]HH)(CCHH)(H){2|N<2>}	H(CC[5]CH)	108.8362	0.078	6	108.8362	0.006	6	108.2819	0.972	22	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHO)(H)2	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CHHO)(H)2	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|C<3>}	H(CC[5]CH)	108.8620	0.018	2	108.8620	0.000	2	108.2819	0.972	22	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C-4:H-1:I-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)(I)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CCHI)(H)	H(CC[5]CI)	C(C[5]C[5]2H)(CCHH)(H)(I)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CCHI)(H){2|C<3>,3|C<4>}	H(CC[5]CI)	106.2460	0.000	1	106.2460	0.000	1	106.2460	0.000	1	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]C)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]2H)	108.6047	0.381	4	108.6047	0.145	4	108.6047	0.145	4	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:S-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(SC[6a]NO)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CHHS)(H)	H(CC[5]HS)	C(C[5]N[5,5]C[5]H)(SC[6a]NO)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CHHS)(H){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]HS)	108.4255	0.012	2	108.4255	0.000	2	108.4255	0.000	2	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:1:	4:	C[5]-4:Si-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(SiCl3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(CSiHH)(H)	H(CC[5]SiH)	C(C[5]C[5,6a]C[5]H)(SiCl3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(CSiHH)(H){1|Cl<1>,1|H<1>,3|C<3>}	H(CC[5]SiH)	108.0860	0.054	2	108.0860	0.003	2	108.0860	0.003	2	108.6067	0.529	138	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5,6]O)(CN[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6]O)(CN[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(OH){2|C<4>,4|C<3>,4|H<1>}	H(CC[5]CH)	108.3430	0.088	2	108.3430	0.008	2	108.3430	0.008	2	108.4701	0.073	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCHH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(OC)	H(CC[5]CH)	C(C[5]C[5]2O)(CCHH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(OC){1|Si<4>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.4580	0.085	2	108.4580	0.007	2	108.6047	0.031	4	108.4701	0.073	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CC[5]HH)(H)2	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CC[5]HH)(H)2	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CCHH)(OH){1|C<4>,1|O<2>}	H(CC[5]CH)	108.7515	0.030	2	108.7515	0.001	2	108.6047	0.031	4	108.4701	0.073	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OC[6])	H(CC[5]C[6]H)	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OC[6]){1|C<4>,2|H<1>,3|C<3>}	H(CC[5]C[6]H)	108.1855	0.032	2	108.1855	0.001	2	108.4346	0.105	8	108.4701	0.073	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH)	H(CC[5]C[6]H)	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH){1|C<4>,2|H<1>,3|C<3>}	H(CC[5]C[6]H)	108.6502	0.346	4	108.5177	0.114	6	108.4346	0.105	8	108.4701	0.073	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:2:	4:	C[5]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH)	H(CC[5]C[6]H)	C(C[5]C[5,6a]C[5,5]O)(C[6]N[6,6a]C[6]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5]H)(CC[6]HH)(OH){1|H<1>,2|C<4>,3|C<3>}	H(CC[5]C[6]H)	108.2525	0.005	2	108.5177	0.114	6	108.4346	0.105	8	108.4701	0.073	14	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(CCHH)(COO){1|C<3>,1|O<1>,2|C<4>}	H(CC[5]CH)	108.1630	0.076	2	108.1630	0.006	2	108.1630	0.006	2	107.6258	0.723	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5,6]C)(CN[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(CHO)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6]C)(CN[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(CHO){2|C<4>,4|C<3>,4|H<1>}	H(CC[5]CH)	108.7200	0.025	2	108.7200	0.001	2	107.9798	0.413	11	107.6258	0.723	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5,6]C)(CN[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,6]C)(CN[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(CCHH)(COO){2|C<4>,4|C<3>,4|H<1>}	H(CC[5]CH)	107.8153	0.591	9	107.8153	0.349	9	107.9798	0.413	11	107.6258	0.723	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CCHH)(COO){1|H<1>,1|S<4>,2|C<3>}	H(CC[5]CH)	108.3390	0.031	2	108.3390	0.001	2	108.3390	0.001	2	107.6258	0.723	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:C-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-3:	C-4:	C(C[5]N[5,5]C[5]C)(CN[5]CH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCHH)(COO)	H(CC[5]CH)	C(C[5]N[5,5]C[5]C)(CN[5]CH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCHH)(COO){1|O<1>,1|O<2>,2|C<4>}	H(CC[5]CH)	106.4327	0.334	4	106.4327	0.112	4	106.4327	0.112	4	107.6258	0.723	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:3:	4:	C[5]-4:C[3x6]-4:H-1:H-1:	C[6a]-3:C[5]-4:C-4:C[5]-3:	C-4:	C(C[5]C[6a]C[5]2)(C[3x6]C[6,6]3)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O)	H(CC[3x6]C[5]H)	C(C[5]C[6a]C[5]2)(C[3x6]C[6,6]3)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	H(CC[3x6]C[5]H)	106.8140	0.052	2	106.8140	0.003	2	106.8140	0.003	2	107.6258	0.723	21	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|H<1>,3|C<4>}	H(CC[5]CH)	108.3431	0.338	15	108.3786	0.056	40	108.3952	0.050	47	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|Cu<2>,1|Cu<3>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.4156	0.107	7	108.3786	0.056	40	108.3952	0.050	47	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|O<1>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.5602	0.122	6	108.3786	0.056	40	108.3952	0.050	47	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|S<1>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.4133	0.077	6	108.3786	0.056	40	108.3952	0.050	47	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{2|Cu<2>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.2077	0.044	6	108.3786	0.056	40	108.3952	0.050	47	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|P<3>,3|C<4>}	H(CC[5]CH)	108.4903	0.089	7	108.4903	0.008	7	108.3952	0.050	47	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[3,5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[3,5]C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]C[3,5]C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]O[3])(CCHH)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(CC[5]CH)	108.0970	0.058	2	108.0970	0.003	2	108.0970	0.003	2	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CCCF)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CCCF)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(CH3){1|H<1>,3|C<3>}	H(CC[5]CH)	107.7740	0.037	2	107.7740	0.001	2	108.2884	0.047	504	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Al<4>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.3644	0.092	9	108.2908	0.046	499	108.2884	0.047	504	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|B<3>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.3581	0.136	17	108.2908	0.046	499	108.2884	0.047	504	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|B<4>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.3721	0.169	22	108.2908	0.046	499	108.2884	0.047	504	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|B<5>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.2703	0.166	42	108.2908	0.046	499	108.2884	0.047	504	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Br<1>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.4489	0.154	8	108.2908	0.046	499	108.2884	0.047	504	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Ge<3>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.3357	0.167	20	108.2908	0.046	499	108.2884	0.047	504	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Ge<4>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.4022	0.168	22	108.2908	0.046	499	108.2884	0.047	504	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.2546	0.251	251	108.2908	0.046	499	108.2884	0.047	504	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|O<2>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.2862	0.143	8	108.2908	0.046	499	108.2884	0.047	504	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|P<2>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.5118	0.175	6	108.2908	0.046	499	108.2884	0.047	504	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|P<3>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.3131	0.207	8	108.2908	0.046	499	108.2884	0.047	504	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Si<3>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.2905	0.142	81	108.2908	0.046	499	108.2884	0.047	504	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)2{1|Si<4>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.3546	0.170	5	108.2908	0.046	499	108.2884	0.047	504	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[6]O[5]H)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[6]O[5]H)(CCHH)2{2|C<4>,3|C<3>}	H(CC[5]CH)	108.2303	0.048	3	108.2303	0.002	3	108.2884	0.047	504	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6]-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C[6])(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2H)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5]C[6])(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2H)(CCHH){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	H(CC[5]CH)	108.4885	0.012	2	108.4885	0.000	2	108.4885	0.000	2	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:N[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6a]N[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.2168	0.080	6	108.2168	0.006	6	108.2168	0.006	6	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)2{2|H<1>,3|C<3>}	H(CC[5]CH)	108.2455	0.142	2	108.2455	0.020	2	108.3571	0.143	21	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|P<2>,1|P<3>,2|C<4>}	H(CC[5]CH)	108.1414	0.210	7	108.1725	0.031	11	108.3571	0.143	21	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|P<2>,1|P<4>,2|C<4>}	H(CC[5]CH)	108.2268	0.089	4	108.1725	0.031	11	108.3571	0.143	21	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CCHH)2{2|C<4>,3|C<3>}	H(CC[5]CH)	108.3980	0.147	6	108.3980	0.021	6	108.3571	0.143	21	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CHOO)(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CHOO)(H)2	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[5]CH)	109.3620	0.006	2	109.3620	0.000	2	108.3571	0.143	21	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[6a]C[5]2)(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HS)(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]2)(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]HS)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.1445	0.037	2	108.1445	0.001	2	108.1420	0.001	4	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[6a]C[5]2)(CCHO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]2)(CCHO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(CCHH){2|C<3>,6|H<1>}	H(CC[5]CH)	108.1395	0.036	2	108.1395	0.001	2	108.1420	0.001	4	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	N[5,5,6]-3:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]N[5,5,6]C[5,6]C)(CH3)(H)2	C[5](N[5,5,6]C[5,5,6]N[5,5,6])(C[5,6]C[5,6]C[6]H)(CCHH)2	H(CC[5]CH)	C(C[5]N[5,5,6]C[5,6]C)(CH3)(H)2	C[5](N[5,5,6]C[5,5,6]N[5,5,6])(C[5,6]C[5,6]C[6]H)(CCHH)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(CC[5]CH)	108.6210	0.036	3	108.6210	0.001	3	108.6210	0.001	3	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,5]C[5]C)(CCHH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]N[5,5]C[5]C)(CCHH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCHH)2{1|C<3>,1|H<1>,1|N<3>}	H(CC[5]CH)	108.2910	0.383	7	108.2223	0.106	15	108.2223	0.106	15	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	3:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]N[5,5]C[5]C)(CCHH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]N[5,5]C[5]C)(CCHH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCHH)2{1|Pd<4>,1|C<3>,1|N<3>}	H(CC[5]CH)	108.1623	0.280	8	108.2223	0.106	15	108.2223	0.106	15	108.2975	0.052	604	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:2:4:	4:	C[3,5]-4:C[5]-4:H-1:H-1:	C-4:O[5]-2:O[5]-2:C-4:	C-4:	C(C[3,5]C[3,5]C[3]C[5])(C[5]O[5]2C)(H)2	C[5](CC[3,5]HH)(O[5]C[5])2(CH3)	H(CC[3,5]C[5]H)	C(C[3,5]C[3,5]C[3]C[5])(C[5]O[5]2C)(H)2	C[5](CC[3,5]HH)(O[5]C[5])2(CH3){4|H<1>}	H(CC[3,5]C[5]H)	108.6435	0.019	4	108.6435	0.000	4	108.6435	0.000	4	108.6925	0.007	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:2:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:C-4:	C-4:	C(C[5]C[5]O[5]O)(CCHH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC[6])(CCHH)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CCHH)(H)2	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC[6])(CCHH){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CH)	108.7905	0.057	2	108.7905	0.003	2	108.7905	0.003	2	108.6925	0.007	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5]O)(CCHH){3|C<3>}	H(CC[5]CH)	108.2723	0.222	3	108.2723	0.049	3	108.3902	0.051	5	108.1570	0.198	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-3:C-4:	C-4:	C(C[5]C[5]O[5]C)(CH3)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CN[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CH3)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CN[5]O)(CCHH){1|C<3>,1|C<4>}	H(CC[5]CH)	108.5670	0.010	2	108.5670	0.000	2	108.3902	0.051	5	108.1570	0.198	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C[5]-3:C-4:	C-4:	C(C[5]C[5]2O[5])(CH3)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]N[5]2)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2O[5])(CH3)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]N[5]2)(CCHH){2|C<3>,2|C<4>,2|H<1>}	H(CC[5]CH)	107.5740	0.188	2	107.5740	0.035	2	107.5740	0.035	2	108.1570	0.198	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CC[3]HH)(H)	H(CC[3]C[5]H)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CC[3]HH)(H){1|O<1>,2|C<4>}	H(CC[3]C[5]H)	108.9100	0.037	2	108.9100	0.001	2	108.5738	0.069	6	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]2H)(O[5]C[5])(CC[3]HH)(H)	H(CC[3]C[5]H)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]2H)(O[5]C[5])(CC[3]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[3]C[5]H)	108.4080	0.041	2	108.4080	0.002	2	108.5738	0.069	6	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CC[3]HH)(H)	H(CC[3]C[5]H)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CC[3]HH)(H){1|C<3>,1|O<1>}	H(CC[3]C[5]H)	108.4035	0.025	2	108.4035	0.001	2	108.5738	0.069	6	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC3)(Br)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	H(CC[5]BrC)	C(C[5]C[5]O[5]H)(CC3)(Br)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|O<1>,2|H<1>}	H(CC[5]BrC)	105.6440	0.000	1	105.6440	0.000	1	107.4232	0.635	11	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	H(CC[5]BrC)	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|C<4>,3|H<1>}	H(CC[5]BrC)	107.4130	0.559	3	107.4235	0.108	8	107.4232	0.635	11	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	H(CC[5]BrC)	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|Cl<1>,1|C<4>,2|H<1>}	H(CC[5]BrC)	107.4298	0.181	5	107.4235	0.108	8	107.4232	0.635	11	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(Br)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CBrCH)(H)	H(CC[5]BrC)	C(C[5]C[5]O[5]H)(CCHO)(Br)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CBrCH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]BrC)	107.6590	0.000	1	107.6590	0.000	1	107.4232	0.635	11	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(Br)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	H(CC[5]BrC)	C(C[5]C[5]O[5]H)(CHHO)(Br)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|Br<1>,1|C<4>,2|H<1>}	H(CC[5]BrC)	108.9640	0.000	1	108.9640	0.000	1	107.4232	0.635	11	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:Cl-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(Cl)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CClCH)(H)	H(CC[5]ClC)	C(C[5]C[5]O[5]H)(CCHH)(Cl)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CClCH)(H){2|C<4>}	H(CC[5]ClC)	108.4210	0.000	1	108.4210	0.000	1	108.4210	0.000	1	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	B[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]B[5,5]O[5]H)(CC[6a]HH)(H)2	C[5](B[5,5]O[5]3)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]B[5,5]O[5]H)(CC[6a]HH)(H)2	C[5](B[5,5]O[5]3)(O[5]C[5])(CCHH)(H){1|N<3>,2|C<4>}	H(CC[5]CH)	108.5373	0.157	4	108.5373	0.025	4	108.5373	0.025	4	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[4,5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[4,5,6]O[5]H)(CCCH)(H)2	C[5](C[4,5,6]C[4,5,6]C[4,6]N[6])(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[4,5,6]O[5]H)(CCCH)(H)2	C[5](C[4,5,6]C[4,5,6]C[4,6]N[6])(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	H(CC[5]CH)	108.2215	0.142	2	108.2215	0.020	2	108.2215	0.020	2	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	H(CC[5]CH)	108.7360	0.000	1	108.7360	0.000	1	108.8688	0.242	19	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]CH)	109.7000	0.013	2	109.7000	0.000	2	108.8688	0.242	19	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CH)	109.0212	0.078	4	109.0212	0.006	4	108.8688	0.242	19	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	C[5](C[5,5]C[5]3)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	C[5](C[5,5]C[5]3)(O[5]C[5])(CCHH)(H){1|O<1>,4|C<4>,4|H<1>}	H(CC[5]CH)	108.3490	0.016	2	108.3490	0.000	2	108.8688	0.242	19	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CCHO)(H)2	C[5](C[5,5]C[5,5]C[5]N[5])(O[5]C[5,5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CCHO)(H)2	C[5](C[5,5]C[5,5]C[5]N[5])(O[5]C[5,5])(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	H(CC[5]CH)	107.9045	0.033	2	107.9045	0.001	2	108.8688	0.242	19	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CC[5]CH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CC[5]CH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(CC[5]CH)	109.0408	0.107	4	109.0408	0.011	4	108.8688	0.242	19	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CC[5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CC[5]HH)(H)2	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.6365	0.028	2	108.6365	0.001	2	108.8688	0.242	19	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CSnHH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]O[5]H)(CSnHH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	H(CC[5]CH)	109.1720	0.031	2	109.1720	0.001	2	108.8688	0.242	19	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]S[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]S[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[5]CH)	108.7717	0.274	12	108.6357	0.143	16	108.6357	0.143	16	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]S[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]S[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]N[5]H)(S[5]C[5])(CCHH)(H){1|C<3>,1|N<3>,4|H<1>}	H(CC[5]CH)	108.2275	0.377	4	108.6357	0.143	16	108.6357	0.143	16	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCCO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCCO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	H(CC[5]CH)	107.8035	0.025	2	107.8035	0.001	2	108.6366	0.527	24	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(CC[5]CH)	108.9175	0.016	2	108.9175	0.000	2	108.6366	0.527	24	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,5,6]C[3,6]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,5,6]C[3,6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|O<2>,3|C<4>}	H(CC[5]CH)	108.8905	0.008	2	108.8905	0.000	2	108.6366	0.527	24	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|O<2>,3|C<4>}	H(CC[5]CH)	108.6750	0.008	2	108.6750	0.000	2	108.6366	0.527	24	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	H(CC[5]CH)	108.5280	0.000	1	108.5280	0.000	1	108.6366	0.527	24	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHH)(H){1|O<1>,3|C<4>,5|H<1>}	H(CC[5]CH)	108.2965	0.016	2	108.2965	0.000	2	108.6366	0.527	24	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>,2|H<1>}	H(CC[5]CH)	109.4730	0.013	2	109.4730	0.000	2	108.6366	0.527	24	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CCHH)(H){2|H<1>,3|C<4>}	H(CC[5]CH)	108.6225	0.014	4	108.6225	0.000	4	108.6366	0.527	24	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CC[5]CO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CC[5]CO)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	H(CC[5]CH)	106.8355	0.006	2	106.8355	0.000	2	108.6366	0.527	24	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CC[6a]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CC[6a]HH)(H)2	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(CCHH)(H){1|B<3>,1|C<4>,2|C<3>,5|H<1>}	H(CC[5]CH)	109.6100	0.000	1	109.6100	0.000	1	108.6366	0.527	24	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CH3)(H)2	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]O[5]H)(CH3)(H)2	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(CC[5]CH)	109.2168	0.095	4	109.2168	0.009	4	108.6366	0.527	24	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]HH)(C[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]HH)(C[5]C[5])(CCHH)(H){1|C<1>,1|C<4>,1|H<1>}	H(CC[5]CH)	111.0695	1.843	2	111.0695	3.398	2	111.0695	3.398	2	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5])(CCHH)(H){1|C<3>}	H(CC[5]CH)	108.3480	0.018	2	108.3480	0.000	2	108.3480	0.000	2	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC3)(H)2	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC3)(H)2	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<3>}	H(CC[5]CH)	108.4120	0.010	2	108.4120	0.000	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(H)2	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	H(CC[5]CH)	108.6439	0.280	9	108.6439	0.078	9	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CH)	108.9180	0.000	1	108.9180	0.000	1	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H){1|C<3>}	H(CC[5]CH)	109.2937	0.117	3	109.2937	0.014	3	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(H)2	C[5](C[5]C[5]HS)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C[5](C[5]C[5]HS)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	H(CC[5]CH)	108.6890	0.000	1	108.6890	0.000	1	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCCO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	H(CC[5]CH)	109.5280	0.014	2	109.5280	0.000	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCCO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]CH)	107.6662	0.267	14	107.6662	0.071	14	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCFF)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCFF)(H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H){2|C<3>}	H(CC[5]CH)	108.7550	0.018	2	108.7550	0.000	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CH)	109.0560	0.061	2	109.0560	0.004	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(CCHH)(H){1|H<1>,2|C<4>}	H(CC[5]CH)	109.4495	0.011	2	109.4495	0.000	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]CH)	108.6460	0.006	2	108.6460	0.000	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.7610	0.023	2	108.7710	0.001	3	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H){1|N<3>,3|C<4>,3|H<1>}	H(CC[5]CH)	108.7910	0.000	1	108.7710	0.001	3	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	H(CC[5]CH)	108.1430	1.457	4	107.8571	2.220	8	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	106.8630	2.551	2	107.8571	2.220	8	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	H(CC[5]CH)	108.2795	0.028	2	107.8571	2.220	8	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	109.2010	0.213	4	109.2010	0.045	4	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)(H){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]CH)	108.4940	0.000	1	108.4940	0.000	1	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHH)(H){1|C<3>,1|H<1>,2|O<2>}	H(CC[5]CH)	108.4410	0.024	2	108.4410	0.001	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]CH)	108.5990	0.165	2	109.3961	1.910	7	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	110.8447	0.048	3	109.3961	1.910	7	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	H(CC[5]CH)	108.0205	0.279	2	109.3961	1.910	7	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H){1|C<3>}	H(CC[5]CH)	108.2665	0.009	2	108.2665	0.000	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CH)	109.4387	0.577	4	109.4387	0.333	4	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.6820	0.037	2	108.6820	0.001	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	H(CC[5]CH)	109.3835	0.018	2	109.3835	0.000	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){1|O<1>}	H(CC[5]CH)	108.9200	0.030	2	108.6633	0.041	6	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	H(CC[5]CH)	108.5350	0.051	4	108.6633	0.041	6	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]O[5]CO)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHH)(H)2	C[5](C[5]O[5]CO)(O[5]C[5])(CCHH)(H){2|C<4>}	H(CC[5]CH)	109.0450	0.021	2	109.0450	0.000	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHN)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHN)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]CH)	108.8045	0.005	2	108.8045	0.000	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(H)2	C[5](C[5]C[5,5]HH)(O[5]N[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C[5](C[5]C[5,5]HH)(O[5]N[5])(CCHH)(H){3|C<4>}	H(CC[5]CH)	108.6870	0.007	2	108.6870	0.000	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(H)2	C[5](C[5]C[5]BrH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C[5](C[5]C[5]BrH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	108.2250	0.027	2	108.2250	0.001	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(H)2	C[5](C[5]C[5]CH)(O[5]N[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C[5](C[5]C[5]CH)(O[5]N[5])(CCHH)(H){1|H<1>,2|C<4>}	H(CC[5]CH)	107.8287	0.263	4	107.8287	0.069	4	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(H)2	C[5](C[5]C[5]ClH)(O[5]C[5,5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C[5](C[5]C[5]ClH)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CH)	108.1690	0.071	2	108.1690	0.005	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(H)2	C[5](C[5]C[5]ClH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C[5](C[5]C[5]ClH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	109.5796	0.217	5	109.5796	0.047	5	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	108.4459	0.086	8	108.4459	0.007	8	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	H(CC[5]CH)	108.8205	0.080	2	108.8205	0.006	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(H)2	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>,2|O<2>}	H(CC[5]CH)	108.5540	0.021	2	108.5540	0.000	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<1>,1|O<1>}	H(CC[5]CH)	108.8860	0.000	1	108.6503	0.054	13	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	H(CC[5]CH)	108.5960	0.239	10	108.6503	0.054	13	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CH)	108.8040	0.004	2	108.6503	0.054	13	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5,6]CH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5,6]CH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	H(CC[5]CH)	108.8057	0.162	12	108.8057	0.026	12	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C[5](C[5]C[5,5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C[5](C[5]C[5,5]CH)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	H(CC[5]CH)	107.8820	0.004	2	107.8820	0.000	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	H(CC[5]CH)	108.2469	0.345	7	107.9121	0.169	22	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CH)	107.7559	0.346	15	107.9121	0.169	22	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CH)	108.5650	0.031	2	108.5650	0.001	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]CO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]CO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	H(CC[5]CH)	108.0935	0.009	2	108.0935	0.000	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	C[5](C[5]C[5]CC)(O[5]N[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	C[5](C[5]C[5]CC)(O[5]N[5])(CCHH)(H){1|C<3>}	H(CC[5]CH)	108.7705	0.030	2	108.7705	0.001	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	C[5](C[5]O[5]CH)(O[5]B[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	C[5](C[5]O[5]CH)(O[5]B[5])(CCHH)(H){1|C<4>}	H(CC[5]CH)	108.4477	0.476	16	108.4477	0.227	16	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5a]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[5a]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	H(CC[5]CH)	108.1170	0.148	4	108.1170	0.022	4	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6]HO)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[6]HO)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H){1|H<1>,2|C<4>}	H(CC[5]CH)	107.8028	0.293	5	107.8028	0.086	5	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(CCHH)(H){4|C<3>}	H(CC[5]CH)	108.7030	0.006	2	108.7030	0.000	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CH)	105.3985	0.296	2	105.3985	0.088	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,3|C<3>}	H(CC[5]CH)	109.2295	0.022	2	109.2295	0.000	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H){1|O<1>,1|S<4>}	H(CC[5]CH)	109.2570	0.007	2	109.2570	0.000	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|H<1>}	H(CC[5]CH)	109.2425	0.049	2	109.2425	0.002	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CH3)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,2|O<2>}	H(CC[5]CH)	107.1005	1.357	2	107.1005	1.841	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CH3)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|H<1>,1|N<2>,1|O<1>}	H(CC[5]CH)	105.3035	2.241	2	105.3035	5.021	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)(H)2	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CH3)(H)2	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.9575	0.019	2	108.9575	0.000	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CH3)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,2|C<4>}	H(CC[5]CH)	106.1480	0.038	2	106.1480	0.001	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)(H)2	C[5](C[5]O[5]CC)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CH3)(H)2	C[5](C[5]O[5]CC)(O[5]C[5])(CCHH)(H){2|C<4>}	H(CC[5]CH)	107.7295	3.618	2	107.7295	13.092	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHN)(H)2	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CHHN)(H)2	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CCHH)(H){1|C<4>,2|C<3>}	H(CC[5]CH)	108.6570	0.024	2	108.6570	0.001	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(H)2	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CHHO)(H)2	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CH)	109.3815	0.016	2	109.3815	0.000	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(H)2	C[5](C[5]C[5]ClH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CHHO)(H)2	C[5](C[5]C[5]ClH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	109.2885	0.082	4	109.2885	0.007	4	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(H)2	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CHHO)(H)2	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){1|C<3>,3|H<1>}	H(CC[5]CH)	108.5357	0.027	3	108.5357	0.001	3	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(H)2	C[5](C[5]C[5]HO)(O[5]C[5,6])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CHHO)(H)2	C[5](C[5]C[5]HO)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CH)	109.6915	0.013	2	109.6915	0.000	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(H)2	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CHHO)(H)2	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]CH)	106.7110	0.890	2	106.7110	0.791	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(H)2	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CHHO)(H)2	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(CCHH)(H){2|C<3>,4|H<1>}	H(CC[5]CH)	109.1357	0.049	3	109.1357	0.002	3	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(H)2	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CHHO)(H)2	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>}	H(CC[5]CH)	108.9035	0.047	2	108.9035	0.002	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHS)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CHHS)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	H(CC[5]CH)	108.5620	1.424	2	108.5620	2.028	2	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	H(CC[5]CH)	109.3460	0.000	1	109.3460	0.000	1	108.4602	0.821	235	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(CCCH)(H)2	C[5](C[5]C[5]HN)(S[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]S[5]H)(CCCH)(H)2	C[5](C[5]C[5]HN)(S[5]C[5])(CCHH)(H){1|O<2>,3|H<1>}	H(CC[5]CH)	108.3265	0.015	2	108.3265	0.000	2	108.9109	0.933	8	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(S[5]S[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]S[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(S[5]S[5])(CCHH)(H){2|H<1>}	H(CC[5]CH)	108.5592	0.106	4	108.5592	0.011	4	108.9109	0.933	8	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(CCHH)(H)2	C[5](C[5]N[5]CH)(S[5]C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]S[5]H)(CCHH)(H)2	C[5](C[5]N[5]CH)(S[5]C[5])(CCHH)(H){1|H<1>,1|S<1>}	H(CC[5]CH)	110.1985	1.415	2	110.1985	2.002	2	108.9109	0.933	8	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:H-1:	P[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]P[5]H)(CRhCH)(H)2	C[5](P[5]C[5,6a]RhC)(O[5]C[5,6a])(CCHH)(H)	H(CC[5]CH)	C(C[5]O[5]P[5]H)(CRhCH)(H)2	C[5](P[5]C[5,6a]RhC)(O[5]C[5,6a])(CCHH)(H){2|C<3>}	H(CC[5]CH)	108.8572	0.218	4	108.8572	0.047	4	108.8572	0.047	4	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:I-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC3)(H)(I)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHI)(H)	H(CC[5]CI)	C(C[5]C[5]O[5]H)(CC3)(H)(I)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHI)(H){1|O<1>,2|H<1>}	H(CC[5]CI)	105.3200	0.000	1	105.3200	0.000	1	105.3200	0.000	1	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CBrCF)(H)(O)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CBrCF)(H)(O)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H){2|C<4>}	H(CC[5]CO)	110.3350	0.000	1	110.3350	0.000	1	109.5990	1.083	2	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C-4:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(H)(O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(H)(O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CO)	108.8630	0.000	1	108.8630	0.000	1	109.5990	1.083	2	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H)	H(CC[3]C[5]H)	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H){1|C<3>,1|O<1>}	H(CC[3]C[5]H)	108.0155	0.015	2	108.1713	0.033	4	108.1713	0.033	4	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H)	H(CC[3]C[5]H)	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H){1|C<4>,1|O<1>}	H(CC[3]C[5]H)	108.3270	0.034	2	108.1713	0.033	4	108.1713	0.033	4	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[3]-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(C[3]C[3]O[3]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[3]HH)(H)	H(CC[3]C[5]H)	C(C[5]C[5,6]O[5]H)(C[3]C[3]O[3]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[3]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(CC[3]C[5]H)	107.0430	0.802	2	107.0430	0.643	2	107.0430	0.643	2	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[3,5]O[5]H)(C[5]C[5]O[5]C)(H)2	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[3,5]O[5]H)(C[5]C[5]O[5]C)(H)2	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[5]HH)(H){1|C<4>,1|O<1>}	H(CC[5]2H)	107.8615	0.026	2	107.8615	0.001	2	107.8615	0.001	2	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]C[6])(C[5]C[5,6]N[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5,6a]C[5]C[6])(C[5]C[5,6]N[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])(CC[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(CC[5]2H)	107.8076	0.104	5	107.8076	0.011	5	107.8076	0.011	5	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5]C)(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[3,5]C[5]C)(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(H){1|O<1>,2|H<1>}	H(CC[5]2H)	108.5850	0.013	2	108.5850	0.000	2	108.2255	0.648	13	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]2C)(O[5]C[5])(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]2C)(O[5]C[5])(CC[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(CC[5]2H)	107.8455	0.023	2	107.8455	0.001	2	108.2255	0.648	13	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(H){1|O<1>,2|H<1>}	H(CC[5]2H)	106.8895	0.062	2	106.8895	0.004	2	108.2255	0.648	13	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HH)(H){2|C<4>}	H(CC[5]2H)	107.6795	0.012	2	107.6795	0.000	2	108.2255	0.648	13	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2Ti)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]O[5]H)(C[5]C[5]2Ti)(H)2	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[5]HH)(H){2|H<1>,2|O<2>}	H(CC[5]2H)	108.7640	0.051	2	108.7640	0.003	2	108.2255	0.648	13	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)2(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]O[5]H)2(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HH)(H){1|H<1>,2|C<4>}	H(CC[5]2H)	109.1280	0.000	1	109.1280	0.000	1	108.2255	0.648	13	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)2(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]O[5]H)2(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HH)(H){2|C<4>}	H(CC[5]2H)	109.1380	0.035	2	109.1380	0.001	2	108.2255	0.648	13	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6]C[6]2S)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HH)(H)	H(CC[5]C[6]H)	C(C[5]C[5]O[5]H)(C[6]C[6]2S)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HH)(H){2|C<4>}	H(CC[5]C[6]H)	108.5915	0.675	4	108.5915	0.456	4	108.8261	1.890	14	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	C[5](C[5]C[5]SeH)(O[5]C[5])(CC[6]HH)(H)	H(CC[5]C[6]H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	C[5](C[5]C[5]SeH)(O[5]C[5])(CC[6]HH)(H){1|C<4>,3|H<1>}	H(CC[5]C[6]H)	109.2995	0.070	2	109.2995	0.005	2	108.8261	1.890	14	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HH)(H)	H(CC[5]C[6]H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HH)(H){2|C<4>}	H(CC[5]C[6]H)	108.7193	2.110	6	108.7193	4.451	6	108.8261	1.890	14	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HH)(H)	H(CC[5]C[6]H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(H)2	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HH)(H){2|C<4>}	H(CC[5]C[6]H)	109.1425	0.015	2	109.1425	0.000	2	108.8261	1.890	14	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:N-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NC3)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NC3)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HN)	110.4780	0.607	2	108.6765	4.457	4	108.5234	1.108	14	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:N-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NC3)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NC3)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|H<1>,1|O<2>,2|C<3>}	H(CC[5]HN)	106.8750	0.143	2	108.6765	4.457	4	108.5234	1.108	14	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:N-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NCuCC)(H)2	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NCuCC)(H)2	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	H(CC[5]HN)	109.0075	0.013	2	109.0075	0.000	2	108.5234	1.108	14	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:N-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NFeCC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NFeCC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){4|H<1>}	H(CC[5]HN)	108.3942	0.147	4	108.3942	0.022	4	108.5234	1.108	14	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:N-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NPtHH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NPtHH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H){1|C<4>,1|H<1>}	H(CC[5]HN)	108.2572	0.135	4	108.2572	0.018	4	108.5234	1.108	14	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:N[6]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(N[6]C[6]2H)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H)	H(CC[5]N[6]H)	C(C[5]C[5]O[5]H)(N[6]C[6]2H)(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H){1|N<2>,1|O<1>}	H(CC[5]N[6]H)	108.6112	0.926	4	108.6112	0.858	4	108.6112	0.858	4	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:P-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(PC[6a]2Cu)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHHP)(H)	H(CC[5]HP)	C(C[5]C[5]O[5]H)(PC[6a]2Cu)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHHP)(H){2|C<4>}	H(CC[5]HP)	108.3002	1.048	15	108.3002	1.098	15	108.3002	1.098	15	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:1:	4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(SC[6a]OO)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]O[5]H)(SC[6a]OO)(H)2	C[5](C[5]C[5]HH)(O[5]N[5])(CHHS)(H){1|C<3>}	H(CC[5]HS)	108.6315	0.016	2	108.6315	0.000	2	108.6315	0.000	2	108.4753	0.850	412	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5,5]O[5]O)(CC3)(H)2	C[5](C[5,5]C[5,5]O[5]O)(O[5]C[5])(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,5]O[5]O)(CC3)(H)2	C[5](C[5,5]C[5,5]O[5]O)(O[5]C[5])(CCHH)(OH){1|H<1>,4|C<4>}	H(CC[5]CH)	108.3015	0.087	2	108.3015	0.008	2	108.5683	0.217	3	108.1955	1.264	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5,5]O[5]O)(CH3)(H)2	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,5]O[5]O)(CH3)(H)2	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(CCHH)(OH){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]CH)	109.1020	0.000	1	109.1020	0.000	1	108.5683	0.217	3	108.1955	1.264	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-2:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHH)(CN)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHH)(CN){2|C<4>,2|H<1>}	H(CC[5]CH)	108.7130	0.000	1	108.7130	0.000	1	108.7130	0.000	1	108.1955	1.264	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(CCHH)(H)2	C[5](C[5]C[5,5]BrH)(O[5]C[5,5])(CCHH)(OC)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CCHH)(H)2	C[5](C[5]C[5,5]BrH)(O[5]C[5,5])(CCHH)(OC){1|C<4>,1|H<1>,2|O<2>}	H(CC[5]CH)	107.9885	0.026	2	107.9885	0.001	2	107.6405	1.572	11	108.1955	1.264	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(CCHH)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CCHH)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CH)	108.3250	0.000	1	108.3250	0.000	1	107.6405	1.572	11	108.1955	1.264	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(CCHH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(OO)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CCHH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(OO){1|C<4>,1|N<3>,2|H<1>}	H(CC[5]CH)	107.1827	1.448	6	107.1827	2.098	6	107.6405	1.572	11	108.1955	1.264	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(OO)	H(CC[5]CH)	C(C[5]C[5]O[5]O)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(OO){2|C<4>}	H(CC[5]CH)	108.3240	1.526	2	108.3240	2.328	2	107.6405	1.572	11	108.1955	1.264	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]C)(C[5]C[5]O[5]O)(H)2	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CC[5]HH)(OC)	H(CC[5]2H)	C(C[5]C[5,5]C[5]C)(C[5]C[5]O[5]O)(H)2	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CC[5]HH)(OC){1|C<3>,1|H<1>,2|C<4>}	H(CC[5]2H)	107.7485	0.037	2	107.7485	0.001	2	108.8339	0.578	7	108.1955	1.264	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(OH)	H(CC[5]2H)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(OH){1|C<4>,3|H<1>}	H(CC[5]2H)	109.2680	0.206	5	109.2680	0.043	5	108.8339	0.578	7	108.1955	1.264	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:3:	4:	C[5]-4:C-4:Cl-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(CC[6a]HH)(Cl)(H)	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(CClCH)(COO)	H(CC[5]ClC)	C(C[5]C[5]O[5]C)(CC[6a]HH)(Cl)(H)	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(CClCH)(COO){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	H(CC[5]ClC)	108.8130	0.000	1	108.8130	0.000	1	108.8130	0.000	1	108.2161	3.032	15	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:N[5]-2:C-4:C-3:	C-4:	C(C[5]C[5,6]N[5]C)(CCCH)(H)2	C[5](C[5,6]C[6,6a]C[6]O[5])(N[5]C[5])(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,6]N[5]C)(CCCH)(H)2	C[5](C[5,6]C[6,6a]C[6]O[5])(N[5]C[5])(CCHH)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.3770	0.033	2	108.3770	0.001	2	108.3770	0.001	2	108.2161	3.032	15	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CCH)	H(CC[5]CH)	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CCH){3|C<4>,4|H<1>}	H(CC[5]CH)	108.9900	0.011	2	108.9900	0.000	2	108.9900	0.000	2	108.2161	3.032	15	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(COO){1|O<1>,1|O<2>,2|H<1>}	H(CC[5]CH)	108.2620	0.045	2	108.2620	0.002	2	107.8452	5.659	8	108.2161	3.032	15	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCHH)(CHO)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCHH)(CHO){1|O<1>,3|C<3>}	H(CC[5]CH)	108.7660	0.020	2	108.7660	0.000	2	107.8452	5.659	8	108.2161	3.032	15	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(CCHN)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHN)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(COO){1|O<1>,2|H<1>}	H(CC[5]CH)	105.6295	5.119	2	105.6295	26.202	2	107.8452	5.659	8	108.2161	3.032	15	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(CH3)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(CCH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CH3)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(CCH){1|C<3>,1|C<4>}	H(CC[5]CH)	108.7235	0.033	2	108.7235	0.001	2	107.8452	5.659	8	108.2161	3.032	15	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:N-3:	C-4:	C(C[5]C[5]O[5]N)(CCHH)(H)2	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHH)(NCC)	H(CC[5]CH)	C(C[5]C[5]O[5]N)(CCHH)(H)2	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHH)(NCC){2|C<4>,2|H<1>}	H(CC[5]CH)	108.4660	0.006	2	108.4660	0.000	2	108.4660	0.000	2	108.2161	3.032	15	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[5]CH)(O[5]C[5,6])(CC[5,5]HH)(CCHH)	H(CC[5,5]C[5]H)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[5]CH)(O[5]C[5,6])(CC[5,5]HH)(CCHH){1|C<4>,1|O<1>,1|O<2>}	H(CC[5,5]C[5]H)	106.8993	0.095	3	106.8993	0.009	3	106.6800	0.095	5	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[5]CO)(O[5]C[5,5])(CC[5,5]HH)(CCHH)	H(CC[5,5]C[5]H)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[5]CO)(O[5]C[5,5])(CC[5,5]HH)(CCHH){1|C<4>,1|O<1>,1|O<2>}	H(CC[5,5]C[5]H)	106.3510	0.013	2	106.3510	0.000	2	106.6800	0.095	5	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5,6]C[5,6]2O)(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[5]C[6]H)(O[5]C[5,6])(CC[5,6]HH)(CCHH)	H(CC[5,6]C[5]H)	C(C[5,6]C[5,6]2O)(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[5]C[6]H)(O[5]C[5,6])(CC[5,6]HH)(CCHH){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(CC[5,6]C[5]H)	105.9935	0.013	2	105.9935	0.000	2	105.9935	0.000	2	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(CCCH)(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,5]O[5]C)(CCCH)(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CCHH)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(CC[5]CH)	107.9970	0.000	1	107.9970	0.000	1	108.8311	0.122	14	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5])(CCHH)(CH3){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]CH)	108.9474	0.276	8	108.9474	0.076	8	108.8311	0.122	14	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[5]CH)	109.0850	0.014	2	108.8607	0.067	4	108.8311	0.122	14	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.6365	0.018	2	108.8607	0.067	4	108.8311	0.122	14	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CCHH)2	H(CC[5]CH)	C(C[5]C[5,5]O[5]C)(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CCHH)2{1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(CC[5]CH)	108.6160	0.000	1	108.6160	0.000	1	108.8311	0.122	14	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6]O[5]C)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2{3|C<4>,4|H<1>}	H(CC[5]CH)	108.0329	0.592	12	108.0329	0.351	12	108.1601	0.340	40	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CH3){3|C<4>,4|H<1>}	H(CC[5]CH)	107.4343	0.990	3	107.4343	0.981	3	108.1601	0.340	40	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CHHO)	H(CC[5]CH)	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CHHO){3|C<4>,4|H<1>}	H(CC[5]CH)	108.4030	0.160	2	108.4030	0.026	2	108.1601	0.340	40	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2{1|C<3>,2|C<4>,4|H<1>}	H(CC[5]CH)	108.5410	0.220	4	108.3000	0.230	23	108.1601	0.340	40	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2	H(CC[5]CH)	C(C[5]C[5,6]O[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2{3|C<4>,4|H<1>}	H(CC[5]CH)	108.2493	0.507	19	108.3000	0.230	23	108.1601	0.340	40	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCCO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)(CCHO)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCCO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)(CCHO){1|O<1>,2|C<4>}	H(CC[5]CH)	106.5285	0.112	4	106.5285	0.012	4	108.1612	0.657	41	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	H(CC[5]CH)	109.3705	0.102	6	109.3705	0.010	6	108.1612	0.657	41	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)2{1|C<4>,1|H<1>,2|O<2>}	H(CC[5]CH)	107.8615	0.033	2	107.8615	0.001	2	108.1612	0.657	41	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(CCHH){1|O<1>,2|H<1>}	H(CC[5]CH)	108.2450	0.006	2	108.2450	0.000	2	108.1612	0.657	41	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	H(CC[5]CH)	108.2110	0.008	2	108.2110	0.000	2	108.1612	0.657	41	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CH3){1|O<1>,2|H<1>}	H(CC[5]CH)	108.6755	0.011	2	108.6755	0.000	2	108.1612	0.657	41	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CC[4]HO)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[4]HO)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(CH3){1|O<1>,2|H<1>}	H(CC[5]CH)	107.6570	0.008	2	107.6570	0.000	2	108.1612	0.657	41	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)2{1|C<4>,1|H<1>,2|O<2>}	H(CC[5]CH)	108.0480	0.016	2	108.0480	0.000	2	108.1612	0.657	41	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5,6])(CC[5,5]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5,6])(CC[5,5]HH)(CCHH){1|C<4>,1|O<1>,1|O<2>}	H(CC[5]CH)	108.0892	0.106	4	108.0892	0.011	4	108.1612	0.657	41	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	C[5](C[5]C[5]CO)(O[5]C[5,5])(CC[5,5]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	C[5](C[5]C[5]CO)(O[5]C[5,5])(CC[5,5]HH)(CCHH){1|C<4>,1|O<1>,1|O<2>}	H(CC[5]CH)	107.7240	0.054	2	107.7240	0.003	2	108.1612	0.657	41	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	C[5](C[5]C[5]C[6]H)(O[5]C[5,6])(CC[5,6]HH)(CCHH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	C[5](C[5]C[5]C[6]H)(O[5]C[5,6])(CC[5,6]HH)(CCHH){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(CC[5]CH)	108.1520	0.023	2	108.1520	0.001	2	108.1612	0.657	41	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CC[6]CH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[6]CH)(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(CH3){1|O<1>}	H(CC[5]CH)	107.4465	0.012	2	107.4465	0.000	2	108.1612	0.657	41	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CC[6]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[6]HH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3){2|C<4>,2|H<1>}	H(CC[5]CH)	107.4630	0.006	2	107.4630	0.000	2	108.1612	0.657	41	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)2	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)2{2|C<4>}	H(CC[5]CH)	108.6535	0.064	2	108.6535	0.004	2	108.1612	0.657	41	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CHHO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CHHO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CH3){2|C<4>,2|H<1>}	H(CC[5]CH)	109.2060	0.037	2	109.2060	0.001	2	108.1612	0.657	41	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CHHO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CHHO)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CHHO)(H)2	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CHHO){2|C<4>,2|H<1>}	H(CC[5]CH)	108.7630	0.000	1	108.7630	0.000	1	108.1612	0.657	41	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CHHO)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CHHO)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CHHO)(H)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CHHO){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CH)	108.2335	0.019	2	108.2335	0.000	2	108.1612	0.657	41	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[3,5]O[5]H)(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[3,5]O[5]H)(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]2H)	107.8360	0.028	2	107.8360	0.001	2	108.0354	0.212	8	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]2H)	108.9340	0.000	1	108.4863	0.150	3	108.0354	0.212	8	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3){2|C<3>,4|H<1>}	H(CC[5]2H)	108.2625	0.005	2	108.4863	0.150	3	108.0354	0.212	8	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[5]C[5]2O)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(CCHH)	H(CC[5]2H)	C(C[5]C[5]O[5]C)(C[5]C[5]2O)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(CCHH){1|O<1>,2|H<1>}	H(CC[5]2H)	107.3630	0.000	1	107.3630	0.000	1	108.0354	0.212	8	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]2H)	107.8945	0.043	2	107.8945	0.002	2	108.0354	0.212	8	108.1302	0.639	110	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:2:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(CCHH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]2O[5])(CCHH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(CC[5]CH)	108.5568	0.307	4	108.5568	0.094	4	108.5752	0.072	5	108.9181	0.466	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:2:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(CH3)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]2)(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]2O[5])(CH3)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]2)(O[5]C[5])(CCHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5]CH)	108.6490	0.000	1	108.6490	0.000	1	108.5752	0.072	5	108.9181	0.466	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:2:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:S-2:C-4:	C-4:	C(C[5]C[5]2S)(CCHO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a])(CCHH)	H(CC[5]CH)	C(C[5]C[5]2S)(CCHO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a])(CCHH){1|C<4>,1|H<1>}	H(CC[5]CH)	110.0635	0.238	2	110.0635	0.057	2	110.0635	0.057	2	108.9181	0.466	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:2:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CCHH){2|H<1>,4|C<3>}	H(CC[5]CH)	108.6300	0.010	2	108.6300	0.000	2	108.6300	0.000	2	108.9181	0.466	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH){1|Br<1>,1|N<2>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	H(CC[5]CH)	110.3175	0.520	2	110.3175	0.270	2	110.3175	0.270	2	108.3257	0.666	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,5]C[6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5]N[5]S[5])(C[6a]C[6a]2)(C[5]O[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5,5]C[6a]C[5])(CH3)(H)2	C[5](C[5,5]C[5]N[5]S[5])(C[6a]C[6a]2)(C[5]O[5]O)(CCHH){2|C<4>,2|H<1>,4|C<3>}	H(CC[5]CH)	108.4700	0.000	1	108.4700	0.000	1	108.4700	0.000	1	108.3257	0.666	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6]C[6a]C[5])(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5,6]C[6a]C[5])(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]O)(CCHH){1|N<2>,3|H<1>,4|C<3>}	H(CC[5]CH)	108.8860	0.000	1	108.8860	0.000	1	108.8860	0.000	1	108.3257	0.666	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:C-4:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]O)(CCHH){1|S<4>,2|H<1>}	H(CC[5]CH)	108.3565	0.047	2	108.3565	0.002	2	108.3565	0.002	2	108.3257	0.666	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(CH3)(H)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]2)(CH3)(H)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	H(CC[5]CH)	108.4720	0.068	2	108.4720	0.005	2	108.4720	0.005	2	108.3257	0.666	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:C-4:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CC[6a]O)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CC[6a]O)(CCHH){5|C<3>}	H(CC[5]CH)	108.0933	0.201	12	108.0933	0.041	12	108.0933	0.041	12	108.3257	0.666	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	H(CC[5]CH)	108.1350	0.000	1	108.1350	0.000	1	108.1350	0.000	1	108.3257	0.666	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:3:4:	4:	C[5]-4:Si-4:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:C-4:	C-4:	C(C[5]C[6a]C[5]2)(SiC3)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(CSiHH)	H(CC[5]SiH)	C(C[5]C[6a]C[5]2)(SiC3)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(CSiHH){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	H(CC[5]SiH)	106.2630	0.000	1	106.2630	0.000	1	106.2630	0.000	1	108.3257	0.666	22	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(Br)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(H)	H(CC[5]BrC)	C(C[5]C[5]N[5]H)(CCHH)(Br)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(H){4|H<1>}	H(CC[5]BrC)	107.8980	0.000	1	107.8980	0.000	1	108.2440	0.090	4	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(Br)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrCH)(H)	H(CC[5]BrC)	C(C[5]C[5]N[5]H)(CCHH)(Br)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrCH)(H){1|O<1>}	H(CC[5]BrC)	108.3593	0.234	3	108.3593	0.055	3	108.2440	0.090	4	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:Cl-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC3)(Cl)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CClCH)(H)	H(CC[5]ClC)	C(C[5]C[5]N[5]H)(CC3)(Cl)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CClCH)(H){1|O<1>,2|H<1>}	H(CC[5]ClC)	105.9250	0.000	1	105.9250	0.000	1	105.9250	0.000	1	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[3x5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[3x5,6]N[5]H)(CCHH)(H)2	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[3x5,6]N[5]H)(CCHH)(H)2	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.2400	0.016	2	108.2400	0.000	2	108.5312	0.056	6	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[3x5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[3x5,6]N[5]H)(CHHN)(H)2	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[3x5,6]N[5]H)(CHHN)(H)2	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	H(CC[5]CH)	108.6767	0.091	4	108.6767	0.008	4	108.5312	0.056	6	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[4,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[4,5]C[5]H)(CHHO)(H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[4,5]C[5]H)(CHHO)(H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(CCHH)(H){2|C<4>,2|H<1>}	H(CC[5]CH)	109.0353	0.106	4	109.0353	0.011	4	109.0353	0.011	4	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,3x6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,3x6]C[5]H)(CCHH)(H)2	C[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[6,6])(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,3x6]C[5]H)(CCHH)(H)2	C[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[6,6])(C[5]C[5]O)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	H(CC[5]CH)	109.3265	1.769	4	109.3265	3.130	4	109.2692	1.886	6	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,3x6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,3x6]C[5]H)(CH3)(H)2	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,3x6]C[5]H)(CH3)(H)2	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>,4|C<3>}	H(CC[5]CH)	109.1545	0.011	2	109.1545	0.000	2	109.2692	1.886	6	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(CHHO)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5,6]C[5]H)(CHHO)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCHH)(H){3|C<4>,3|H<1>}	H(CC[5]CH)	108.7135	0.021	2	108.7135	0.000	2	108.7135	0.000	2	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5,6]N[5]H)(CCCO)(H)2	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5,6]N[5]H)(CCCO)(H)2	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(CCHH)(H){3|C<4>,7|H<1>}	H(CC[5]CH)	108.0850	0.058	2	108.0850	0.003	2	108.0850	0.003	2	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5,5]H)(CC[6a]ClH)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]H)(CC[6a]ClH)(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CC[5]CH)	107.9205	0.013	2	107.9205	0.000	2	107.9205	0.000	2	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC3)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC3)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CC[5]CH)	108.0523	0.017	4	108.0523	0.000	4	108.4874	0.449	16	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]C)(CCHH)(H){1|Co<6>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CH)	109.1960	0.031	2	109.1960	0.001	2	108.4874	0.449	16	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CCHH)(H){2|H<1>,3|C<4>}	H(CC[5]CH)	108.6960	1.174	2	108.6960	1.378	2	108.4874	0.449	16	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|H<1>,3|C<4>}	H(CC[5]CH)	108.9360	1.481	2	108.7212	0.792	4	108.4874	0.449	16	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.5065	0.018	2	108.7212	0.792	4	108.4874	0.449	16	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CH3)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CH3)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]O)(CCHH)(H){1|S<4>,3|C<3>}	H(CC[5]CH)	107.8320	0.072	2	107.8320	0.005	2	108.4874	0.449	16	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CH3)(H)2	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CH3)(H)2	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(CCHH)(H){2|C<4>,4|C<3>}	H(CC[5]CH)	108.6285	0.026	2	108.6285	0.001	2	108.4874	0.449	16	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CCCH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]N[5]H)(CCCH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.1825	0.012	2	108.1825	0.000	2	108.6475	0.188	13	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]N[5]H)(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]CH)	109.0570	0.037	2	109.0570	0.001	2	108.6475	0.188	13	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]N[5]H)(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|C<4>,5|H<1>}	H(CC[5]CH)	109.1235	0.015	2	109.1235	0.000	2	108.6475	0.188	13	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CH3)(H)2	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]N[5]H)(CH3)(H)2	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	H(CC[5]CH)	108.3913	0.179	6	108.5274	0.156	7	108.6475	0.188	13	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CH3)(H)2	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]N[5]H)(CH3)(H)2	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H){3|C<4>,3|H<1>}	H(CC[5]CH)	109.3440	0.000	1	108.5274	0.156	7	108.6475	0.188	13	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(CC[5]CH)	108.8180	0.013	2	108.8767	0.003	6	108.8767	0.003	6	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H){1|N<4>,3|C<4>,6|H<1>}	H(CC[5]CH)	108.9060	0.028	4	108.8767	0.003	6	108.8767	0.003	6	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]O)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(CC[5]CH)	108.5360	0.021	2	108.5360	0.000	2	108.3657	1.637	34	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	H(CC[5]CH)	108.0460	0.030	2	107.9463	3.663	12	108.3657	1.637	34	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|O<1>,2|C<4>,3|H<1>}	H(CC[5]CH)	108.4532	0.049	4	107.9463	3.663	12	108.3657	1.637	34	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]CH)	107.7722	3.368	4	107.9463	3.663	12	108.3657	1.637	34	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){2|C<4>,3|H<1>}	H(CC[5]CH)	107.1810	1.980	2	107.9463	3.663	12	108.3657	1.637	34	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.7676	0.771	8	108.7676	0.595	8	108.3657	1.637	34	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	H(CC[5]CH)	108.7080	0.006	2	108.7080	0.000	2	108.3657	1.637	34	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]S)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	H(CC[5]CH)	108.5410	0.018	2	108.5410	0.000	2	108.3657	1.637	34	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	H(CC[5]CH)	107.0245	0.460	2	107.0245	0.212	2	108.3657	1.637	34	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(H){1|Cl<1>,1|S<4>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.5445	0.028	2	108.5445	0.001	2	108.3657	1.637	34	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CH3)(H)2	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	H(CC[5]CH)	109.0005	0.069	2	109.0005	0.005	2	108.3657	1.637	34	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(CC[5]CH)	109.1140	0.016	2	109.1140	0.000	2	108.3657	1.637	34	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(CC[5]CH)	108.1604	0.418	10	108.1604	0.174	10	108.3989	0.092	51	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[5]CH)	108.1550	0.083	7	108.3214	0.042	13	108.3989	0.092	51	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CC[5]CH)	108.5155	0.088	6	108.3214	0.042	13	108.3989	0.092	51	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]N[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.3340	0.175	3	108.3340	0.031	3	108.3989	0.092	51	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(CC[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]N[5]H)(CC[6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5]C)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	H(CC[5]CH)	108.3415	0.047	4	108.3415	0.002	4	108.3989	0.092	51	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(CH3)(H)2	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]N[5]H)(CH3)(H)2	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	H(CC[5]CH)	108.5729	0.219	9	108.5729	0.048	9	108.3989	0.092	51	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(CH3)(H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]N[5]H)(CH3)(H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]CH)	108.5864	0.253	12	108.5864	0.064	12	108.3989	0.092	51	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:Cl-1:	C-4:	C(C[5]C[5]2Cl)(CF3)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(Cl)	H(CC[5]CH)	C(C[5]C[5]2Cl)(CF3)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(Cl){1|C<3>,2|H<1>}	H(CC[5]CH)	108.2215	0.023	2	108.2215	0.001	2	108.2215	0.001	2	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|H<1>}	H(CC[5]CH)	108.5602	0.063	4	108.5602	0.004	4	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(H){2|H<1>}	H(CC[5]CH)	108.4560	0.120	4	108.4560	0.014	4	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<2>,2|H<1>}	H(CC[5]CH)	108.3210	0.004	2	108.3210	0.000	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCCO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCCO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){2|C<4>}	H(CC[5]CH)	108.6845	0.094	4	108.6845	0.009	4	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCCO)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCCO)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|H<1>}	H(CC[5]CH)	108.5570	0.010	2	108.5570	0.000	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]CH)	108.5497	0.344	15	108.5266	0.119	16	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CH)	108.1800	0.000	1	108.5266	0.119	16	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5]CH)(C[5]N[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5]CH)(C[5]N[5]C)(CCHH)(H){2|C<3>}	H(CC[5]CH)	108.1710	0.020	2	108.1710	0.000	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|C<4>}	H(CC[5]CH)	108.2385	0.008	2	108.2385	0.000	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5]OO)(C[5]C[5,5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5]OO)(C[5]C[5,5]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]CH)	109.0985	0.043	2	109.0985	0.002	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CH)	108.3265	0.016	2	108.3265	0.000	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H){2|C<3>}	H(CC[5]CH)	108.8472	0.185	5	108.8472	0.034	5	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>}	H(CC[5]CH)	108.3180	0.127	4	108.2327	0.027	6	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	H(CC[5]CH)	108.0620	0.007	2	108.2327	0.027	6	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<5>,1|C<3>}	H(CC[5]CH)	108.9980	0.004	2	108.8129	0.177	34	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<5>,2|C<4>}	H(CC[5]CH)	109.1965	0.018	2	108.8129	0.177	34	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<6>,1|C<3>}	H(CC[5]CH)	108.5908	0.383	19	108.8129	0.177	34	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<6>,2|C<4>}	H(CC[5]CH)	109.0932	0.324	11	108.8129	0.177	34	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H){1|C<4>,1|O<1>}	H(CC[5]CH)	108.5200	0.007	2	108.5200	0.000	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.7763	0.223	4	108.7763	0.050	4	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(H){1|C<3>}	H(CC[5]CH)	108.9400	0.007	2	108.9400	0.000	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){3|H<1>}	H(CC[5]CH)	108.6517	0.080	4	108.6517	0.006	4	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	109.1996	0.115	5	109.0727	0.056	7	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.7555	0.009	2	109.0727	0.056	7	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|H<1>}	H(CC[5]CH)	108.4885	0.078	2	108.4885	0.006	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]OO)(C[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]OO)(C[5]C[5]H)(CCHH)(H){1|S<4>,2|H<1>}	H(CC[5]CH)	108.4675	0.006	2	108.4675	0.000	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CH)	109.1540	0.000	1	108.8277	0.419	16	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	109.4855	0.028	2	108.8277	0.419	16	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CH)	108.9466	0.284	11	108.8277	0.419	16	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|O<1>,2|C<3>}	H(CC[5]CH)	107.3530	0.030	2	108.8277	0.419	16	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	H(CC[5]CH)	108.8205	0.039	2	108.8205	0.002	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CH)	108.7870	0.000	1	108.7870	0.000	1	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(CC[5]CH)	109.2895	0.008	2	109.2895	0.000	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(CCHH)(H){1|O<1>,2|C<3>}	H(CC[5]CH)	108.5444	0.206	8	108.5444	0.042	8	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCHH)(H){1|S<4>,2|H<1>}	H(CC[5]CH)	105.3000	0.099	2	105.3000	0.010	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]2)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]2)(CCHH)(H){1|S<4>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.8620	0.010	2	108.8620	0.000	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHO)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHO)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CH)	108.7750	0.004	2	108.7750	0.000	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHO)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHO)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	H(CC[5]CH)	108.7144	0.607	5	108.7144	0.368	5	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[3]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[3]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>}	H(CC[5]CH)	108.0300	0.008	2	108.0300	0.000	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[3]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[3]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CH)	109.0430	0.030	2	109.0430	0.001	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[3]HO)(H)2	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[3]HO)(H)2	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]CH)	108.4197	0.077	4	108.4197	0.006	4	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[5]HH)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	H(CC[5]CH)	109.0590	0.006	2	109.0590	0.000	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[5]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5]CH)	108.6840	0.007	2	108.6840	0.000	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(H)2	C[5](C[5]O[5]CC)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[5]HH)(H)2	C[5](C[5]O[5]CC)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|O<2>}	H(CC[5]CH)	108.7524	0.304	5	108.7524	0.092	5	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6]CH)(H)2	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6]CH)(H)2	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(CC[5]CH)	108.1235	0.015	2	108.1235	0.000	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CH)	108.6860	0.311	4	108.6831	0.043	8	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.6803	0.051	4	108.6831	0.043	8	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]CC)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6a]CC)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|S<4>,2|H<1>}	H(CC[5]CH)	108.3955	0.009	2	108.3955	0.000	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]HH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6a]HH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|S<4>}	H(CC[5]CH)	108.6960	0.106	4	108.6960	0.011	4	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6a]HO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){3|H<1>}	H(CC[5]CH)	108.4600	0.031	2	108.4600	0.001	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CF3)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CF3)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)(H){2|C<3>}	H(CC[5]CH)	108.5665	0.036	2	108.5665	0.001	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){1|O<1>,2|C<4>}	H(CC[5]CH)	108.6315	0.009	2	108.6315	0.000	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(H){1|C<3>}	H(CC[5]CH)	109.2625	0.101	2	109.2625	0.010	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){4|H<1>}	H(CC[5]CH)	109.2105	0.018	2	109.2105	0.000	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]HN)(C[5]N[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]HN)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>}	H(CC[5]CH)	108.8950	0.132	4	108.8950	0.018	4	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]HN)(C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]HN)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|H<1>}	H(CC[5]CH)	108.4035	0.046	2	108.4035	0.002	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]O[5]CO)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]O[5]CO)(C[5]C[5]O)(CCHH)(H){2|C<4>}	H(CC[5]CH)	109.4325	0.047	2	109.4325	0.002	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]S[5]HH)(C[5]N[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]S[5]HH)(C[5]N[5]O)(CCHH)(H){1|C<4>,1|O<1>}	H(CC[5]CH)	105.7310	1.441	2	105.7310	2.077	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CHHO)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>}	H(CC[5]CH)	108.9960	0.028	2	108.9960	0.001	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(H)2	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CHHO)(H)2	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CCHH)(H){1|H<1>,3|C<3>}	H(CC[5]CH)	111.1485	1.167	2	111.1485	1.363	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CHHO)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|S<4>,2|H<1>}	H(CC[5]CH)	108.5385	0.107	2	108.5385	0.011	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CHHO)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	H(CC[5]CH)	108.9149	0.195	7	108.9149	0.038	7	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHP)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CHHP)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	H(CC[5]CH)	107.6535	0.653	2	107.6535	0.426	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHS)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CHHS)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.4875	0.006	2	108.4875	0.000	2	108.6579	0.411	218	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]O[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]O[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(CC[5]CH)	108.4040	0.010	2	108.4040	0.000	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CH)	108.1250	0.000	1	108.1250	0.000	1	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	H(CC[5]CH)	108.2580	0.021	2	108.2580	0.000	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]O[5]CC)(N[5]C[5]Pd)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]O[5]CC)(N[5]C[5]Pd)(CCHH)(H){1|C<3>}	H(CC[5]CH)	108.2285	0.033	2	108.2285	0.001	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H){2|C<4>}	H(CC[5]CH)	109.1550	0.000	1	109.1550	0.000	1	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCHH)(H){1|C<3>}	H(CC[5]CH)	108.2800	0.976	2	108.2800	0.952	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCHH)(H){1|C<3>}	H(CC[5]CH)	108.2331	0.728	8	108.2331	0.530	8	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCHH)(H){1|C<3>}	H(CC[5]CH)	108.7195	0.016	2	108.7195	0.000	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]O[5]HH)(N[5]P[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]O[5]HH)(N[5]P[5]H)(CCHH)(H){1|N<3>,1|O<1>}	H(CC[5]CH)	108.6755	0.013	2	108.6755	0.000	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.0800	0.020	2	108.0800	0.000	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	H(CC[5]CH)	108.2950	0.014	2	108.2950	0.000	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]CC)(N[5]N[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]CC)(N[5]N[5]S)(CCHH)(H){1|C<3>}	H(CC[5]CH)	108.8380	0.387	3	108.8380	0.150	3	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>}	H(CC[5]CH)	108.7420	0.004	2	108.3342	0.844	4	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){4|H<1>}	H(CC[5]CH)	107.9265	1.367	2	108.3342	0.844	4	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHH)(H){2|C<4>}	H(CC[5]CH)	108.4510	0.070	3	108.4510	0.005	3	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CH)	108.7413	0.641	6	108.8940	0.566	10	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	H(CC[5]CH)	108.6365	1.319	2	108.8940	0.566	10	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<2>,3|H<1>}	H(CC[5]CH)	109.6095	0.029	2	108.8940	0.566	10	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<3>,3|H<1>}	H(CC[5]CH)	108.2595	0.186	4	111.3972	50.058	6	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<4>,1|H<1>}	H(CC[5]CH)	117.6725	11.491	2	111.3972	50.058	6	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	109.1478	0.402	4	109.1478	0.161	4	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]S)(CCHH)(H){1|C<3>,1|N<2>}	H(CC[5]CH)	108.1780	0.006	2	108.1780	0.000	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H){1|O<1>}	H(CC[5]CH)	108.5847	1.254	4	108.5847	1.574	4	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<1>}	H(CC[5]CH)	107.7035	0.553	4	107.7035	0.306	4	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]S[5]CH)(N[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]S[5]CH)(N[5]C[5]H)(CCHH)(H){1|S<1>}	H(CC[5]CH)	108.7110	0.529	2	108.7110	0.280	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){4|H<1>}	H(CC[5]CH)	107.8525	0.018	2	107.8525	0.000	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.6133	0.262	4	108.6133	0.069	4	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[5]HH)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[5]HH)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<1>}	H(CC[5]CH)	108.9830	0.144	9	108.9830	0.021	9	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH)(H){1|C<3>,3|H<1>}	H(CC[5]CH)	109.5360	0.000	1	109.5360	0.000	1	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.7570	0.031	2	108.7570	0.001	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	H(CC[5]CH)	108.7600	0.010	2	108.7600	0.000	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|O<2>,3|H<1>}	H(CC[5]CH)	109.1070	0.017	2	109.1070	0.000	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	C[5](C[5]O[5]HP)(N[5]S[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	C[5](C[5]O[5]HP)(N[5]S[5]H)(CCHH)(H){2|O<1>}	H(CC[5]CH)	109.1598	0.073	4	109.1598	0.005	4	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]HO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[6a]HO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<3>,3|H<1>}	H(CC[5]CH)	108.9725	0.598	2	108.9725	0.357	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CF3)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CF3)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHH)(H){1|C<3>}	H(CC[5]CH)	109.1695	0.026	2	109.1695	0.001	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]H)(CCHH)(H){1|O<1>,2|H<1>}	H(CC[5]CH)	108.8597	0.102	3	108.8597	0.010	3	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]C[5]HS)(N[5]C[5]S)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]C[5]HS)(N[5]C[5]S)(CCHH)(H){2|C<3>,2|H<1>}	H(CC[5]CH)	108.9995	0.026	2	108.9995	0.001	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>}	H(CC[5]CH)	109.1653	0.087	4	109.1653	0.008	4	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCHH)(H){1|C<3>}	H(CC[5]CH)	109.2885	0.012	2	109.2885	0.000	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CCHH)(H){1|C<3>}	H(CC[5]CH)	109.2719	0.360	7	109.2719	0.130	7	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCHH)(H){1|C<3>}	H(CC[5]CH)	109.3415	0.022	2	109.3415	0.000	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Te)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Te)(CCHH)(H){1|C<3>}	H(CC[5]CH)	109.4980	0.018	2	109.4980	0.000	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHN)(H)2	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5,6]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CHHN)(H)2	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5,6]C)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	H(CC[5]CH)	109.1800	0.068	2	109.1800	0.005	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHO)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CHHO)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHH)(H){1|O<1>}	H(CC[5]CH)	108.9190	0.175	16	108.9190	0.031	16	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CSiHH)(H)2	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CSiHH)(H)2	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCHH)(H){1|C<4>,2|O<1>}	H(CC[5]CH)	108.8090	0.031	2	108.8090	0.001	2	108.8776	2.403	140	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](N[5]C[5]HH)(C[5]N[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](N[5]C[5]HH)(C[5]N[5]O)(CCHH)(H){3|C<4>}	H(CC[5]CH)	108.5020	0.000	1	108.5020	0.000	1	108.5020	0.000	1	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:I-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)(I)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHI)(H)	H(CC[5]CI)	C(C[5]C[5]N[5]H)(CCHH)(H)(I)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHI)(H){1|C<3>,3|H<1>}	H(CC[5]CI)	109.3300	0.000	1	109.3300	0.000	1	108.4852	0.386	4	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:I-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(H)(I)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHI)(H)	H(CC[5]CI)	C(C[5]C[5]N[5]H)(CH3)(H)(I)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHI)(H){4|H<1>}	H(CC[5]CI)	107.8380	0.000	1	107.8380	0.000	1	108.4852	0.386	4	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C-4:H-1:I-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHN)(H)(I)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHI)(H)	H(CC[5]CI)	C(C[5]C[5]N[5]H)(CHHN)(H)(I)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHI)(H){1|O<1>}	H(CC[5]CI)	108.3865	0.078	2	108.3865	0.006	2	108.4852	0.386	4	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|H<1>,1|O<1>}	H(CC[5]2H)	108.0120	0.018	4	108.0120	0.000	4	108.6974	0.271	25	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|O<1>}	H(CC[5]2H)	108.2410	0.456	5	108.2410	0.208	5	108.6974	0.271	25	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2Fe)(C[5]C[5]2H)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]2Fe)(C[5]C[5]2H)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[5]HH)(H){1|H<1>,3|C<4>}	H(CC[5]2H)	108.7873	0.387	4	108.7873	0.150	4	108.6974	0.271	25	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(C[5]C[5]2O)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]2H)(C[5]C[5]2O)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(H){2|C<4>}	H(CC[5]2H)	108.9273	0.052	4	108.9273	0.003	4	108.6974	0.271	25	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)2(H)2	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]2H)2(H)2	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[5]HH)(H){3|H<1>}	H(CC[5]2H)	108.9815	0.022	2	108.9815	0.000	2	108.6974	0.271	25	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)2(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]2H)2(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|O<1>}	H(CC[5]2H)	109.0160	0.000	1	109.0160	0.000	1	108.6974	0.271	25	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|O<1>}	H(CC[5]2H)	109.2688	0.191	5	109.2688	0.036	5	108.6974	0.271	25	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[6]-4:Br-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6]C[6]2H)(Br)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6]BrH)(H)	H(CC[5]C[6]Br)	C(C[5]C[5]N[5]H)(C[6]C[6]2H)(Br)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6]BrH)(H){4|H<1>}	H(CC[5]C[6]Br)	107.8840	0.000	1	107.8840	0.000	1	107.8840	0.000	1	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)(H)	H(CC[5]C[6]H)	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)(H){2|C<3>}	H(CC[5]C[6]H)	108.2841	0.122	10	108.2841	0.015	10	108.2841	0.015	10	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[6]C[6]N[6]H)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HH)(H)	H(CC[5]C[6]H)	C(C[5]C[5]N[5]H)(C[6]C[6]N[6]H)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HH)(H){2|C<4>}	H(CC[5]C[6]H)	109.3660	1.417	2	109.3660	2.008	2	109.3660	2.008	2	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:N-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NCCH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NCCH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H){1|C<4>,1|H<1>}	H(CC[5]HN)	108.8650	0.010	2	108.8650	0.000	2	108.8650	0.000	2	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:N-4:H-1:H-1:	C[5]-4:O[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NFeCC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NFeCC)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(CHHN)(H){4|H<1>}	H(CC[5]HN)	109.4790	0.177	6	109.4790	0.031	6	109.3351	0.094	8	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:N-4:H-1:H-1:	C[5]-4:O[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NFeCH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]O[5]H)(NFeCH)(H)2	C[5](C[5]C[5]HH)(O[5]C[5]Fe)(CHHN)(H){4|H<1>}	H(CC[5]HN)	108.9035	0.039	2	108.9035	0.002	2	109.3351	0.094	8	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:N[6]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(N[6]C[6]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H)	H(CC[5]N[6]H)	C(C[5]C[5]2H)(N[6]C[6]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H){1|C<3>,1|H<1>}	H(CC[5]N[6]H)	109.4010	0.086	2	109.4010	0.007	2	109.4010	0.007	2	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:P-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(PC3)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHHP)(H)	H(CC[5]HP)	C(C[5]C[5]2H)(PC3)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHHP)(H){2|H<1>}	H(CC[5]HP)	106.5510	0.006	2	106.5510	0.000	2	107.7778	1.085	6	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:P-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(PC[6a]2O)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHP)(H)	H(CC[5]HP)	C(C[5]C[5]2H)(PC[6a]2O)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHP)(H){1|C<4>,1|H<1>}	H(CC[5]HP)	107.9155	0.025	2	107.9155	0.001	2	107.7778	1.085	6	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:P-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(PC[6a]2O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHHP)(H)	H(CC[5]HP)	C(C[5]C[5]2H)(PC[6a]2O)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHHP)(H){2|H<1>}	H(CC[5]HP)	108.8670	0.038	2	108.8670	0.001	2	107.7778	1.085	6	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:S-4:F-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(SC[5a]OO)(F)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFHS)(H)	H(CC[5]FS)	C(C[5]C[5]N[5]H)(SC[5a]OO)(F)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFHS)(H){4|H<1>}	H(CC[5]FS)	109.1550	0.000	1	109.1550	0.000	1	109.1550	0.000	1	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:S-4:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(SC[6a]OO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5,5]N[5]H)(SC[6a]OO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CHHS)(H){1|C<4>,1|O<2>,3|H<1>}	H(CC[5]HS)	108.6002	0.057	6	108.6002	0.003	6	108.6002	0.003	6	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(SC[6a]OO)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]C)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]2H)(SC[6a]OO)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]C)(CHHS)(H){1|C<4>,3|H<1>}	H(CC[5]HS)	108.8505	0.049	2	108.8505	0.002	2	109.1620	0.131	4	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(SC[6a]OO)(H)2	C[5](C[5]C[5]HO)(C[5]O[5]O)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]2H)(SC[6a]OO)(H)2	C[5](C[5]C[5]HO)(C[5]O[5]O)(CHHS)(H){1|C<4>,1|H<1>}	H(CC[5]HS)	109.4735	0.052	2	109.4735	0.003	2	109.1620	0.131	4	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(SC[6a]NO)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SC[6a]NO)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHS)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HS)	108.8725	0.015	2	108.8725	0.000	2	108.9750	0.072	9	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(SC[6a]OO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SC[6a]OO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHS)(H){1|C<3>,2|C<4>}	H(CC[5]HS)	108.7830	0.000	1	108.7830	0.000	1	108.9750	0.072	9	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(SC[6a]OO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SC[6a]OO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H){2|C<4>,2|H<1>}	H(CC[5]HS)	109.4430	0.030	2	109.4430	0.001	2	108.9750	0.072	9	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(SC[6a]OO)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]S)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SC[6a]OO)(H)2	C[5](C[5]C[5]HH)(N[5]N[5]S)(CHHS)(H){1|C<3>}	H(CC[5]HS)	108.8780	0.000	1	108.8780	0.000	1	108.9750	0.072	9	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(SNOO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]N[5]H)(SNOO)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHS)(H){4|H<1>}	H(CC[5]HS)	108.8277	0.042	3	108.8277	0.002	3	108.9750	0.072	9	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:Si-4:H-1:H-1:	C[5,5]-4:N[5,5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5,5]H)(SiC[6a]CC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CSiHH)(H)	H(CC[5]SiH)	C(C[5]C[5,5]N[5,5]H)(SiC[6a]CC)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CSiHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(CC[5]SiH)	108.0680	0.028	2	108.0680	0.001	2	108.0680	0.001	2	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[5]-4:Si-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(SiC3)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CSiHH)(H)	H(CC[5]SiH)	C(C[5]C[5]2H)(SiC3)(H)2	C[5](C[5]S[5]HH)(C[5]C[5]C)(CSiHH)(H){1|C<3>}	H(CC[5]SiH)	107.6590	0.054	2	107.6590	0.003	2	107.6590	0.003	2	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6]C[6]O[6]C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(H)	H(CC[5]C[6]H)	C(C[6]C[6]O[6]C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(H){2|C<4>}	H(CC[5]C[6]H)	108.8690	0.000	1	108.8690	0.000	1	108.5227	0.091	3	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[6]C[6a]C[6]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(H)	H(CC[5]C[6]H)	C(C[6]C[6a]C[6]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(H){2|H<1>}	H(CC[5]C[6]H)	108.3495	0.054	2	108.3495	0.003	2	108.5227	0.091	3	108.6633	0.947	595	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C-4:C-2:	C-4:	C(C[5]C[5,6a]C[5,5]C)(CHOO)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(CN)	H(CC[5]CH)	C(C[5]C[5,6a]C[5,5]C)(CHOO)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)(CN){1|H<1>,5|C<3>}	H(CC[5]CH)	108.5393	0.022	3	108.5393	0.000	3	108.5393	0.000	3	108.2593	0.327	43	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6,6]C[5]O)(CCHH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6,6]C[5]O)(CCHH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(OH){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	H(CC[5]CH)	106.6385	1.084	2	106.6385	1.175	2	106.6385	1.175	2	108.2593	0.327	43	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CN)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CN){4|H<1>}	H(CC[5]CH)	108.7862	0.204	8	108.7862	0.042	8	108.8162	0.036	10	108.2593	0.327	43	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CCHH)(CN)	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CCHH)(CN){1|S<4>,2|C<3>,2|H<1>}	H(CC[5]CH)	108.9360	0.024	2	108.9360	0.001	2	108.8162	0.036	10	108.2593	0.327	43	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCCO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCCO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH){2|C<4>}	H(CC[5]CH)	107.5670	0.000	1	107.5670	0.000	1	108.1790	0.100	20	108.2593	0.327	43	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH){3|H<1>}	H(CC[5]CH)	108.1060	0.004	2	108.1060	0.000	2	108.1790	0.100	20	108.2593	0.327	43	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCHO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCHO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH){1|H<1>,1|O<1>}	H(CC[5]CH)	107.8964	0.133	5	107.8964	0.018	5	108.1790	0.100	20	108.2593	0.327	43	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CC[5]CO)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CC[5]CO)(H)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(OH){1|H<1>,1|O<2>,3|C<4>}	H(CC[5]CH)	108.2005	0.016	2	108.2005	0.000	2	108.1790	0.100	20	108.2593	0.327	43	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CC[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CC[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(OH){1|C<4>,1|O<1>}	H(CC[5]CH)	108.5170	0.054	4	108.5170	0.003	4	108.1790	0.100	20	108.2593	0.327	43	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH){1|C<4>,1|H<1>}	H(CC[5]CH)	108.4975	0.113	4	108.4975	0.013	4	108.1790	0.100	20	108.2593	0.327	43	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CHHO)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CHHO)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(OH){1|H<1>,2|C<3>}	H(CC[5]CH)	107.9295	0.021	2	107.9295	0.000	2	108.1790	0.100	20	108.2593	0.327	43	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[3]-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(C[3]C[3]2H)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CC[3]HH)(OH)	H(CC[3]C[5]H)	C(C[5]C[5,5]C[5]O)(C[3]C[3]2H)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CC[3]HH)(OH){2|C<3>,3|H<1>}	H(CC[3]C[5]H)	108.4450	0.034	2	108.4450	0.001	2	108.4450	0.001	2	108.2593	0.327	43	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]O[5]C)(C[5]C[5]2O)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(OSi)	H(CC[5]2H)	C(C[5]C[5]O[5]C)(C[5]C[5]2O)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(OSi){2|C<4>}	H(CC[5]2H)	107.3875	0.094	2	107.3875	0.009	2	107.3875	0.009	2	108.2593	0.327	43	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:2:	4:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(C[6]C[6]2O)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(OH)	H(CC[5]C[6]H)	C(C[5]C[5]2O)(C[6]C[6]2O)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(OH){2|C<4>}	H(CC[5]C[6]H)	108.2122	0.090	4	108.2122	0.008	4	108.2122	0.008	4	108.2593	0.327	43	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[3,5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[3,5]N[5]C)(CHHS)(H)2	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[5]H)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[3,5]N[5]C)(CHHS)(H)2	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[5]H)(CCHH)(COO){3|C<3>,3|H<1>}	H(CC[5]CH)	108.7070	0.000	1	108.7070	0.000	1	108.7070	0.000	1	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]N[5]C)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,5]N[5]C)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(COO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]CH)	109.0675	0.053	2	109.0675	0.003	2	109.0675	0.003	2	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]O)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]O)(CCHH)(COO){1|C<3>,1|H<1>,4|C<4>}	H(CC[5]CH)	108.2940	0.000	1	108.2940	0.000	1	108.2852	0.050	11	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](C[5,6]C[5,6,6]C[6,6]C)(C[5]N[5,6]O)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](C[5,6]C[5,6,6]C[6,6]C)(C[5]N[5,6]O)(CCHH)(COO){1|C<3>,1|H<1>,3|C<4>}	H(CC[5]CH)	107.8590	0.044	2	107.8590	0.002	2	108.2852	0.050	11	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(COO){1|C<3>,2|H<1>,3|C<4>}	H(CC[5]CH)	108.3645	0.076	6	108.3645	0.006	6	108.2852	0.050	11	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]O)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]O)(CCHH)(COO){1|C<3>,1|H<1>,4|C<4>}	H(CC[5]CH)	108.4690	0.027	2	108.4690	0.001	2	108.2852	0.050	11	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CCHH)(COO){1|C<3>,1|H<1>,1|O<2>}	H(CC[5]CH)	108.6880	0.029	3	108.6880	0.001	3	108.5890	0.044	50	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCHH)(COO){1|H<1>,3|C<4>}	H(CC[5]CH)	108.3870	0.004	2	108.3870	0.000	2	108.5890	0.044	50	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(COO){2|C<3>}	H(CC[5]CH)	108.5095	0.050	2	108.5095	0.003	2	108.5890	0.044	50	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(COO){4|H<1>}	H(CC[5]CH)	108.3743	0.328	4	108.3743	0.107	4	108.5890	0.044	50	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CNO)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CNO){4|H<1>}	H(CC[5]CH)	108.4775	0.152	12	108.4775	0.023	12	108.5890	0.044	50	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(COO){4|H<1>}	H(CC[5]CH)	108.6430	0.021	2	108.6430	0.000	2	108.5890	0.044	50	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(CCO)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(CCO){1|C<3>,2|H<1>}	H(CC[5]CH)	108.9550	0.051	2	108.9550	0.003	2	108.5890	0.044	50	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CC[6a]HH)(H)2	C[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH)(CCH)	H(CC[5]CH)	C(C[5]C[5]2C)(CC[6a]HH)(H)2	C[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH)(CCH){4|H<1>}	H(CC[5]CH)	108.9590	0.007	2	108.9590	0.000	2	108.5890	0.044	50	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]2C)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(COO){1|C<3>,1|H<1>,1|O<1>}	H(CC[5]CH)	108.1490	0.000	1	108.1490	0.000	1	108.5890	0.044	50	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(COO){1|C<4>,1|O<2>,2|C<3>}	H(CC[5]CH)	108.5505	0.008	2	108.5505	0.000	2	108.5890	0.044	50	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CHHN)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCHH)(CCC)	H(CC[5]CH)	C(C[5]C[5]2C)(CHHN)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCHH)(CCC){1|H<1>,3|C<4>}	H(CC[5]CH)	108.7035	0.079	4	108.7035	0.006	4	108.5890	0.044	50	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CHHN)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(CCHH)(CCC)	H(CC[5]CH)	C(C[5]C[5]2C)(CHHN)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(CCHH)(CCC){2|C<4>,2|H<1>}	H(CC[5]CH)	108.7610	0.062	4	108.7610	0.004	4	108.5890	0.044	50	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CHHN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC)	H(CC[5]CH)	C(C[5]C[5]2C)(CHHN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC){1|C<4>,3|H<1>}	H(CC[5]CH)	108.4790	0.037	4	108.6142	0.016	10	108.5890	0.044	50	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CHHN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC)	H(CC[5]CH)	C(C[5]C[5]2C)(CHHN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC){1|H<1>,3|C<4>}	H(CC[5]CH)	108.7755	0.005	2	108.6142	0.016	10	108.5890	0.044	50	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CHHN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC)	H(CC[5]CH)	C(C[5]C[5]2C)(CHHN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC){2|C<4>,2|H<1>}	H(CC[5]CH)	108.6688	0.029	4	108.6142	0.016	10	108.5890	0.044	50	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5]2N)(CCCH)(H)2	C[5](C[5]C[5]HO)(C[5]S[5]O)(CCHH)(NCH)	H(CC[5]CH)	C(C[5]C[5]2N)(CCCH)(H)2	C[5](C[5]C[5]HO)(C[5]S[5]O)(CCHH)(NCH){2|H<1>}	H(CC[5]CH)	107.7133	0.018	3	107.7133	0.000	3	107.7133	0.000	3	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CCCH)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]H)(CCHH)(CNO)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCCH)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]H)(CCHH)(CNO){1|O<1>,2|H<1>}	H(CC[5]CH)	108.5485	0.028	2	108.5485	0.001	2	108.2916	0.493	9	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CCCH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCCH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]CH)	108.0750	0.000	1	107.5173	0.236	3	108.2916	0.493	9	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CCCH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCCH)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO){1|C<4>,3|H<1>}	H(CC[5]CH)	107.2385	0.080	2	107.5173	0.236	3	108.2916	0.493	9	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CCCH)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCCH)(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CCHH)(COO){1|O<1>,3|C<3>}	H(CC[5]CH)	108.3185	0.036	2	108.3185	0.001	2	108.2916	0.493	9	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]H)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]H)(CCHH)(COO){2|C<3>,2|H<1>}	H(CC[5]CH)	109.1690	0.007	2	109.1690	0.000	2	108.2916	0.493	9	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:H-1:H-1:	Ge[4,5]-4:C[5]-3:C-4:N-3:	C-4:	C(C[5]Ge[4,5]C[5]N)(C[5]C[5]2W)(H)2	C[5](Ge[4,5]C[4,5]C[4]W)(C[5]C[5]N)(CC[5]HH)(NCC)	H(CC[5]2H)	C(C[5]Ge[4,5]C[5]N)(C[5]C[5]2W)(H)2	C[5](Ge[4,5]C[4,5]C[4]W)(C[5]C[5]N)(CC[5]HH)(NCC){1|C<3>,3|N<3>}	H(CC[5]2H)	107.3580	0.008	2	107.3580	0.000	2	107.3580	0.000	2	108.4603	0.168	78	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(CC[5,5,6]HH)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	H(CC[5]CH)	C(CC[5,5,6]HH)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){3|H<1>}	H(CC[5]CH)	108.0180	0.011	2	108.0180	0.000	2	108.0180	0.000	2	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[3]C[3]O[3]H)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[3]HH)(CH3)	H(CC[3]C[5]H)	C(C[3]C[3]O[3]H)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[3]HH)(CH3){1|C<4>,1|H<1>}	H(CC[3]C[5]H)	108.3685	0.062	2	108.3685	0.004	2	108.3685	0.004	2	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(Br)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(CH3)	H(CC[5]BrC)	C(C[5]C[5]N[5]C)(CCHH)(Br)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(CH3){4|H<1>}	H(CC[5]BrC)	107.7270	0.000	1	107.7270	0.000	1	107.5855	0.040	2	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(Br)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrCH)(CH3)	H(CC[5]BrC)	C(C[5]C[5]N[5]C)(CCHH)(Br)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrCH)(CH3){1|O<1>}	H(CC[5]BrC)	107.4440	0.000	1	107.4440	0.000	1	107.5855	0.040	2	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(CC[5]CH)	107.7950	0.062	2	107.8270	0.003	4	107.8270	0.003	4	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3){2|H<1>,2|O<2>,3|C<4>}	H(CC[5]CH)	107.8590	0.008	2	107.8270	0.003	4	107.8270	0.003	4	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.0215	0.032	2	108.0470	0.002	4	107.9445	0.063	14	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.0725	0.047	2	108.0470	0.002	4	107.9445	0.063	14	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(CC[5]CH)	107.7669	0.036	8	107.7669	0.001	8	107.9445	0.063	14	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CC[5]CH)	108.4500	0.016	2	108.4500	0.000	2	107.9445	0.063	14	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CC3)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CC3)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2{1|S<4>,2|H<1>}	H(CC[5]CH)	107.0087	0.030	4	107.0087	0.001	4	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCFF)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CCFF)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|S<4>,2|H<1>}	H(CC[5]CH)	107.4772	0.451	13	107.4772	0.203	13	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(CCHH)(CHHO)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(CCHH)(CHHO){1|H<1>,2|O<2>}	H(CC[5]CH)	108.2780	0.030	2	108.2780	0.001	2	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3){1|O<1>,2|H<1>}	H(CC[5]CH)	108.5205	0.887	2	108.5205	0.788	2	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CHHO)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CHHO){1|C<4>,1|H<1>}	H(CC[5]CH)	108.2410	0.037	2	108.2410	0.001	2	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<5>,1|C<4>,1|H<1>}	H(CC[5]CH)	108.6985	0.012	2	108.5308	0.107	13	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<6>,1|C<4>,1|H<1>}	H(CC[5]CH)	108.5003	0.349	11	108.5308	0.107	13	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)2{4|H<1>}	H(CC[5]CH)	108.1962	0.163	11	108.1962	0.027	11	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)2{1|C<4>,2|H<1>}	H(CC[5]CH)	108.2925	0.005	2	108.2925	0.000	2	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2{1|S<4>,2|H<1>}	H(CC[5]CH)	108.2325	0.387	6	108.2325	0.150	6	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)(CH3){1|C<3>,2|O<2>,3|H<1>}	H(CC[5]CH)	107.7780	0.008	2	107.7780	0.000	2	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|O<1>,2|H<1>}	H(CC[5]CH)	108.4065	0.012	2	108.4065	0.000	2	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)2{1|C<4>,2|H<1>}	H(CC[5]CH)	108.4535	0.006	2	108.4535	0.000	2	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2{1|C<3>,2|C<4>}	H(CC[5]CH)	108.4083	0.927	15	108.4083	0.859	15	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Be)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Be)(CCHH)2{1|C<3>,2|C<4>}	H(CC[5]CH)	108.2916	0.164	5	108.2916	0.027	5	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2{1|C<3>,2|C<4>}	H(CC[5]CH)	108.4248	0.235	41	108.4248	0.055	41	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Cu)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Cu)(CCHH)2{1|C<3>,2|C<4>}	H(CC[5]CH)	108.3358	0.057	6	108.3358	0.003	6	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Ir)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Ir)(CCHH)2{1|C<3>,2|C<4>}	H(CC[5]CH)	108.3918	0.243	8	108.3918	0.059	8	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Se)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]Se)(CCHH)2{1|C<3>,2|C<4>}	H(CC[5]CH)	108.4973	0.068	4	108.4973	0.005	4	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]C)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HO)(C[5]N[5]C)(CCHH)2{1|C<3>}	H(CC[5]CH)	108.2163	0.331	4	108.2163	0.110	4	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(CCHH)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[5]CH)	108.8830	0.006	2	108.8830	0.000	2	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CCHH)2{1|C<4>,1|N<3>,2|C<3>}	H(CC[5]CH)	108.4977	0.290	4	108.4977	0.084	4	108.2693	0.266	150	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-4:C-4:	C-4:	C(C[5]C[6a]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CCHH)	H(CC[5]CH)	C(C[5]C[6a]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)(CCHH){1|O<2>,4|C<3>,5|H<1>}	H(CC[5]CH)	108.0727	0.089	3	108.0727	0.008	3	108.0727	0.008	3	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(CH3){1|C<4>,1|H<1>}	H(CC[5]CH)	108.6855	0.022	2	108.6855	0.000	2	108.3728	0.242	18	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)(CHHO)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)(CHHO){1|O<1>,2|H<1>}	H(CC[5]CH)	108.0605	0.054	2	108.0605	0.003	2	108.3728	0.242	18	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)2{1|H<1>,2|C<4>}	H(CC[5]CH)	108.2973	0.045	3	108.1182	0.024	10	108.3728	0.242	18	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)2{1|H<1>,3|C<4>}	H(CC[5]CH)	108.0414	0.110	7	108.1182	0.024	10	108.3728	0.242	18	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCHH)(CHHO)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCHH)(CHHO){1|O<1>}	H(CC[5]CH)	108.4545	0.021	2	108.4545	0.000	2	108.3728	0.242	18	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CRhCH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC[6a]2H)(CCHH)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CRhCH)(H)2	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CC[6a]2H)(CCHH){1|C<4>}	H(CC[5]CH)	109.5640	0.062	2	109.5640	0.004	2	108.3728	0.242	18	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C-4:H-1:I-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)(H)(I)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCHI)(CH3)	H(CC[5]CI)	C(C[5]C[5]N[5]C)(CH3)(H)(I)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCHI)(CH3){1|O<1>}	H(CC[5]CI)	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3){2|H<1>}	H(CC[5]2H)	108.7450	0.062	2	108.5205	0.069	4	107.8413	0.450	10	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3){4|H<1>}	H(CC[5]2H)	108.2960	0.017	2	108.5205	0.069	4	107.8413	0.450	10	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]HH)(CH3){4|H<1>}	H(CC[5]2H)	107.6885	0.037	2	107.6885	0.001	2	107.8413	0.450	10	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|O<1>,2|H<1>}	H(CC[5]2H)	107.5900	0.016	2	107.5900	0.000	2	107.8413	0.450	10	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(CH3){1|O<1>,2|H<1>}	H(CC[5]2H)	106.8870	0.034	2	106.8870	0.001	2	107.8413	0.450	10	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:N-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(NCuCH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHN)(CH3)	H(CC[5]HN)	C(C[5]C[5]N[5]C)(NCuCH)(H)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHN)(CH3){1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	H(CC[5]HN)	109.2963	0.072	4	109.2963	0.005	4	109.2963	0.005	4	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(SC[6a]OO)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHS)(CH3)	H(CC[5]HS)	C(C[5]C[5]2C)(SC[6a]OO)(H)2	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHS)(CH3){1|S<4>,2|H<1>}	H(CC[5]HS)	107.2750	0.052	2	107.2750	0.003	2	107.7802	0.341	4	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:3:4:4:	4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(SC[6a]OO)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CHHS)(CH3)	H(CC[5]HS)	C(C[5]C[5]2C)(SC[6a]OO)(H)2	C[5](C[5]O[5]HH)(C[5]C[5]C)(CHHS)(CH3){1|O<1>}	H(CC[5]HS)	108.2855	0.019	2	108.2855	0.000	2	107.7802	0.341	4	108.2349	0.293	214	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]O[5]C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(CC[5,5]HH)(O[5]C[5])(CCHH)	H(CC[5,5]C[5]H)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]O[5]C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(CC[5,5]HH)(O[5]C[5])(CCHH){2|C<4>,2|H<1>,3|O<2>}	H(CC[5,5]C[5]H)	107.2990	0.065	2	107.2990	0.004	2	107.2990	0.004	2	108.5228	0.430	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(CC[5,5]HH)(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(CC[5,5]HH)(O[5]C[5])(CCHH){2|C<4>,2|H<1>,3|O<2>}	H(CC[5]CH)	108.2180	0.052	2	108.2180	0.003	2	108.2180	0.003	2	108.5228	0.430	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]O[5]C)(CC[3]HH)(H)2	C[5](C[5]C[5]CH)(CC[5,5]HO)(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]O[5]C)(CC[3]HH)(H)2	C[5](C[5]C[5]CH)(CC[5,5]HO)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,1|O<2>}	H(CC[5]CH)	108.9784	0.183	5	108.9784	0.033	5	108.9784	0.033	5	108.5228	0.430	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(CCHH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(CCHH)	H(CC[5]CH)	C(C[5]C[5]2O[5])(CCHH)(H)2	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|O<1>,3|H<1>,4|C<4>}	H(CC[5]CH)	108.4470	0.000	1	108.4470	0.000	1	108.4470	0.000	1	108.5228	0.430	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:2:4:	4:	C[6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:O[5]-2:C-4:	C-4:	C(C[6,6]C[5,3x6]C[6,6]C)(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[5]CH)(CC[6,6]HH)(O[5]C[5])(CH3)	H(CC[6,6]C[5]H)	C(C[6,6]C[5,3x6]C[6,6]C)(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[5]CH)(CC[6,6]HH)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|H<1>}	H(CC[6,6]C[5]H)	108.9505	0.008	2	108.9505	0.000	2	108.9505	0.000	2	108.5228	0.430	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C-4:C[5]-3:H-1:	C-4:	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(H)	H(CC[5,5]C[5]H)	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]H)(H)2	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5,5]C[5]H)	108.9605	0.054	4	108.9605	0.003	4	108.9605	0.003	4	108.7189	0.757	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C[5]-3:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(H)2	C[5](C[5]O[5]CC)(CC[5,6]HH)(C[5]C[5]C)(H)	H(CC[5,6]C[5]H)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(H)2	C[5](C[5]O[5]CC)(CC[5,6]HH)(C[5]C[5]C)(H){1|C<3>}	H(CC[5,6]C[5]H)	110.0250	0.000	1	110.0250	0.000	1	110.0250	0.000	1	108.7189	0.757	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:N[5]-3:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(H)2	C[5](C[5]O[5]HH)(CC[5,6]HH)(N[5]C[5]C)(H)	H(CC[5,6]C[5]H)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(H)2	C[5](C[5]O[5]HH)(CC[5,6]HH)(N[5]C[5]C)(H){2|C<4>}	H(CC[5,6]C[5]H)	107.5825	0.091	2	107.5825	0.008	2	107.5825	0.008	2	108.7189	0.757	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C-4:C[5]-3:O-2:	C-4:	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]O)(H)2	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(OH)	H(CC[5,5]C[5]H)	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]O)(H)2	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5,5]C[5]H)	108.5222	0.028	4	108.5222	0.001	4	108.5222	0.001	4	108.5222	0.001	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(CB[6a]B[5]H)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HH)2(CCHH)(H)	H(CC[5]CH)	C(CB[6a]B[5]H)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]HH)2(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.8703	0.087	6	108.8703	0.008	6	108.8703	0.008	6	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]HH)(H)	H(CC[3]C[5]H)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]HH)(H){2|H<1>}	H(CC[3]C[5]H)	108.8808	0.047	5	108.8808	0.002	5	108.8808	0.002	5	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:S[5]-4:C-4:H-1:	C-4:	C(C[3]C[3]O[3]H)(C[5]C[5]S[5]H)(H)2	C[5](C[5]C[5]HH)(S[5]N[5]OO)(CC[3]HH)(H)	H(CC[3]C[5]H)	C(C[3]C[3]O[3]H)(C[5]C[5]S[5]H)(H)2	C[5](C[5]C[5]HH)(S[5]N[5]OO)(CC[3]HH)(H){1|C<4>,2|H<1>}	H(CC[3]C[5]H)	107.0505	0.032	2	107.0505	0.001	2	107.0505	0.001	2	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C-4:C[5]-4:C[5]-4:H-1:	C-4:	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5]2H)(H)2	C[5](CC[5,6,6]HH)(C[5]C[5]HH)(C[5]O[5]CC)(H)	H(CC[5,6,6]C[5]H)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5]2H)(H)2	C[5](CC[5,6,6]HH)(C[5]C[5]HH)(C[5]O[5]CC)(H){1|C<4>,1|O<2>}	H(CC[5,6,6]C[5]H)	108.1270	0.000	1	108.1270	0.000	1	108.1270	0.000	1	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:B-4:H-1:H-1:	C[5,5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(BC[6a]3)(H)2	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CC)(CBHH)(H)	H(CC[5]BH)	C(C[5]C[5,5]N[5]H)(BC[6a]3)(H)2	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CC)(CBHH)(H){2|H<1>,3|C<4>}	H(CC[5]BH)	107.8195	0.032	2	107.8195	0.001	2	107.7947	0.002	4	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:B-4:H-1:H-1:	C[5,5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(BC[6a]3)(H)2	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CH)(CBHH)(H)	H(CC[5]BH)	C(C[5]C[5,5]N[5]H)(BC[6a]3)(H)2	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CH)(CBHH)(H){2|H<1>,3|C<4>}	H(CC[5]BH)	107.7700	0.047	2	107.7700	0.002	2	107.7947	0.002	4	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(Br)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CBrCH)(H)	H(CC[5]BrC)	C(C[5]C[5]2H)(CCHH)(Br)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CBrCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]BrC)	108.5240	0.000	1	108.5240	0.000	1	108.5240	0.000	1	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:Cl-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(Cl)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CClCH)(H)	H(CC[5]ClC)	C(C[5]C[5]2H)(CCHH)(Cl)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CClCH)(H){1|S<4>,2|H<1>}	H(CC[5]ClC)	107.9320	0.000	1	107.9320	0.000	1	108.0650	0.415	6	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:Cl-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(Cl)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CClCH)(H)	H(CC[5]ClC)	C(C[5]C[5]2H)(CCHH)(Cl)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CClCH)(H){1|S<4>,2|C<4>,3|H<1>}	H(CC[5]ClC)	107.2130	0.000	1	107.2130	0.000	1	108.0650	0.415	6	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:Cl-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(Cl)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CClCH)(H)	H(CC[5]ClC)	C(C[5]C[5]2H)(CH3)(Cl)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(CClCH)(H){1|S<4>,2|C<4>,3|H<1>}	H(CC[5]ClC)	108.6110	0.076	3	108.6110	0.006	3	108.0650	0.415	6	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:Cl-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(Cl)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(CClCH)(H)	H(CC[5]ClC)	C(C[5]C[5]2H)(CHHO)(Cl)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5]HH)(CClCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]ClC)	107.4120	0.000	1	107.4120	0.000	1	108.0650	0.415	6	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	B[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]B[5,5]C[5]H)(CCHH)(H)2	C[5](B[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]B[5,5]C[5]H)(CCHH)(H)2	C[5](B[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.2340	0.075	2	108.2340	0.006	2	108.2340	0.006	2	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	B[5]-4:P[5]-4:C-4:H-1:	C-4:	C(C[5]B[5]P[5]H)(CH3)(H)2	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCHH)(H)	H(CC[5]CH)	C(C[5]B[5]P[5]H)(CH3)(H)2	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCHH)(H){1|H<1>,9|C<3>}	H(CC[5]CH)	108.6240	0.457	4	108.6240	0.209	4	108.6240	0.209	4	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[3,5]-4:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5,5]H)(CC[5]HH)(H)2	C[5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5,5]O[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[3,5]C[5,5]H)(CC[5]HH)(H)2	C[5](C[3,5]C[3]C[5]O[3])(C[5,5]C[5,5]O[5]H)(CCHH)(H){3|C<4>,4|H<1>}	H(CC[5]CH)	108.2655	0.021	2	108.2655	0.000	2	108.2655	0.000	2	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	C[5](C[3,5]C[3,5]C[3]N)(C[5]C[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	C[5](C[3,5]C[3,5]C[3]N)(C[5]C[5]CC)(CCHH)(H){5|H<1>}	H(CC[5]CH)	108.0435	0.018	2	108.0435	0.000	2	108.0973	0.083	4	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	C[5](C[3,5]C[3,5]O[3]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<1>}	H(CC[5]CH)	107.8070	0.000	1	107.8070	0.000	1	108.0973	0.083	4	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	C[5](C[3,5]C[3]2C[5])(C[5]C[3]O[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[3,5]C[5]H)(CCHH)(H)2	C[5](C[3,5]C[3]2C[5])(C[5]C[3]O[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(CC[5]CH)	108.4950	0.000	1	108.4950	0.000	1	108.0973	0.083	4	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[4,5]C[5]H)(CH3)(H)2	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[4,5]C[5]H)(CH3)(H)2	C[5](C[4,5]C[4,5,5]C[4,5]H)(C[5]C[5,5]HH)(CCHH)(H){1|O<2>,2|H<1>,3|C<4>}	H(CC[5]CH)	108.8890	0.000	1	108.8890	0.000	1	109.0028	0.060	5	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[4,5]C[5]H)(CH3)(H)2	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[4,5]C[5]H)(CH3)(H)2	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.7950	0.021	2	108.7950	0.000	2	109.0028	0.060	5	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[4,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[4,5]C[5]H)(CHHN)(H)2	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[4,5]C[5]H)(CHHN)(H)2	C[5](C[4,5]C[4,6a]C[4,5]H)(C[5]C[5]HH)(CCHH)(H){2|C<3>,3|H<1>}	H(CC[5]CH)	109.2675	0.006	2	109.2675	0.000	2	109.0028	0.060	5	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(CH3)(H)2	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5,6]C[5]H)(CH3)(H)2	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	H(CC[5]CH)	108.9930	0.048	2	108.9930	0.002	2	108.9930	0.002	2	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]2H)(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]2H)(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(CCHH)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|O<1>,3|H<1>}	H(CC[5]CH)	109.0270	0.021	2	109.0270	0.000	2	109.0270	0.000	2	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC3)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC3)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(CC[5]CH)	108.0857	0.035	3	108.0857	0.001	3	108.5763	0.296	60	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCCH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]N[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCCH)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]N[5]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	H(CC[5]CH)	108.8480	0.000	1	108.8480	0.000	1	108.5763	0.296	60	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]CH)	108.4175	1.190	2	108.4175	1.416	2	108.5763	0.296	60	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(CC[5]CH)	107.8240	1.218	2	107.8240	1.483	2	108.5763	0.296	60	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCHH)(H){1|C<3>,1|O<2>,5|H<1>}	H(CC[5]CH)	109.0330	0.016	2	109.0330	0.000	2	108.5763	0.296	60	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]CH)	109.7085	0.040	2	109.7085	0.002	2	108.5763	0.296	60	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH)(H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(CC[5]CH)	107.5535	0.183	2	107.5535	0.034	2	108.5763	0.296	60	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,6|H<1>}	H(CC[5]CH)	108.1215	0.036	2	108.1205	0.001	4	108.5763	0.296	60	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CCHH)(H){2|C<4>,6|H<1>}	H(CC[5]CH)	108.1195	0.032	2	108.1205	0.001	4	108.5763	0.296	60	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	C[5](C[5,5]C[3x5]C[5]O)(C[5]O[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	C[5](C[5,5]C[3x5]C[5]O)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|O<1>,2|O<2>}	H(CC[5]CH)	109.0020	0.014	2	109.0020	0.000	2	108.5763	0.296	60	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]CH)	108.3885	0.039	2	108.3885	0.002	2	108.5763	0.296	60	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[3]O[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CCHO)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[3]O[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5]CH)	108.3475	0.016	2	108.3475	0.000	2	108.5763	0.296	60	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[3]HO)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[3]O[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[3]HO)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[3]O[5]H)(CCHH)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(CC[5]CH)	108.0500	0.000	1	108.0500	0.000	1	108.5763	0.296	60	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>}	H(CC[5]CH)	108.6967	0.100	3	108.6967	0.010	3	108.5763	0.296	60	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]CH)	108.9324	0.170	16	108.9324	0.029	16	108.5763	0.296	60	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CO)(CCHH)(H){2|C<4>,3|H<1>}	H(CC[5]CH)	108.1566	0.100	10	108.1566	0.010	10	108.5763	0.296	60	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[5]HO)(H)2	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[5]HO)(H)2	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>}	H(CC[5]CH)	109.2520	0.000	1	109.2520	0.000	1	108.5763	0.296	60	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[6]HH)(H)2	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[6]HH)(H)2	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]CH)	108.4480	0.000	1	108.4480	0.000	1	108.5763	0.296	60	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[6]HH)(H)2	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CC[6]HH)(H)2	C[5](C[5,5]C[5,6,6]C[5,5]O)(C[5]C[5]HH)(CCHH)(H){3|H<1>,4|C<4>}	H(CC[5]CH)	108.8405	0.077	2	108.8405	0.006	2	108.5763	0.296	60	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CH3)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]C[5]H)(CH3)(H)2	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(CC[5]CH)	109.2185	0.045	2	109.2185	0.002	2	108.5763	0.296	60	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CC[5]CH)(H)2	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]N[5]H)(CC[5]CH)(H)2	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CC)(CCHH)(H){2|H<1>,3|C<4>}	H(CC[5]CH)	106.8530	0.014	2	106.8530	0.000	2	107.1323	0.234	3	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CC[5]CH)(H)2	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,5]N[5]H)(CC[5]CH)(H)2	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]CH)(CCHH)(H){2|H<1>,3|C<4>}	H(CC[5]CH)	107.6910	0.000	1	107.6910	0.000	1	107.1323	0.234	3	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	H(CC[5]CH)	108.6110	0.092	4	108.6110	0.008	4	108.5726	0.054	8	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]HH)(CCHH)(H){1|H<1>,2|O<1>,2|O<2>,3|C<4>}	H(CC[5]CH)	108.5343	0.339	4	108.5343	0.115	4	108.5726	0.054	8	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]CH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.9130	0.017	2	108.9130	0.000	2	108.5865	0.305	19	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]HH)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	H(CC[5]CH)	109.3695	0.042	2	109.3695	0.002	2	108.5865	0.305	19	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]CH)	109.2110	0.000	1	109.2110	0.000	1	108.5865	0.305	19	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	H(CC[5]CH)	108.3665	0.028	2	108.0315	0.130	6	108.5865	0.305	19	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	H(CC[5]CH)	107.8640	0.324	4	108.0315	0.130	6	108.5865	0.305	19	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[6]HH)(H)2	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]HH)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	H(CC[5]CH)	108.3370	0.030	2	108.3370	0.001	2	108.5865	0.305	19	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CC[6]HH)(H)2	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	H(CC[5]CH)	108.2225	0.008	2	108.2225	0.000	2	108.5865	0.305	19	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5]CH)	109.1015	0.022	2	109.1015	0.000	2	108.5865	0.305	19	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(CC[5]CH)	108.9280	0.010	2	108.9280	0.000	2	108.5865	0.305	19	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[3]C[5]O)(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[3]C[5]O)(C[5]C[5]CH)(CCHH)(H){3|C<4>,4|H<1>}	H(CC[5]CH)	107.8774	0.179	5	107.8774	0.032	5	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H){4|H<1>}	H(CC[5]CH)	109.1935	1.016	6	109.1935	1.033	6	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|H<1>}	H(CC[5]CH)	107.4825	0.005	2	107.4825	0.000	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHH)(H){2|H<1>}	H(CC[5]CH)	107.2265	0.504	2	107.2265	0.254	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]CH)2(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]CH)2(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.4235	0.060	2	108.4235	0.004	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCHH)(H){2|H<1>}	H(CC[5]CH)	108.1760	0.000	1	108.1760	0.000	1	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.7816	0.200	9	108.7816	0.040	9	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCCH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCCH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|H<1>,1|O<1>}	H(CC[5]CH)	108.0288	0.346	4	108.0288	0.119	4	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCCN)(H)2	C[5](C[5]C[5,6a]HH)2(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCCN)(H)2	C[5](C[5]C[5,6a]HH)2(CCHH)(H){2|C<3>}	H(CC[5]CH)	108.0335	0.123	4	108.0335	0.015	4	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCFF)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCFF)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H){2|C<3>,2|H<1>}	H(CC[5]CH)	108.7550	0.007	2	108.7550	0.000	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[3,5]O[5]H)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[3,5]O[5]H)(C[5]C[5]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	H(CC[5]CH)	108.4063	0.102	6	108.4063	0.010	6	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]CH)	108.3195	0.211	12	108.3195	0.045	12	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[4,4,5,6,6]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[4,4,5,6,6]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|O<1>,3|C<4>}	H(CC[5]CH)	108.6055	0.028	2	108.6055	0.001	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5,6]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5,6]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>}	H(CC[5]CH)	107.8280	0.027	2	107.8280	0.001	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CCHH)(H){1|H<1>,3|C<4>}	H(CC[5]CH)	108.5815	2.552	2	108.5815	6.512	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(CCHH)(H){1|C<4>,1|N<2>,2|H<1>}	H(CC[5]CH)	108.7290	0.021	2	108.7290	0.000	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(CCHH)(H){1|O<1>,1|S<2>,3|C<3>}	H(CC[5]CH)	109.0680	0.000	1	109.0680	0.000	1	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CCHH)(H){2|H<1>,2|S<2>}	H(CC[5]CH)	108.4027	0.017	3	108.4027	0.000	3	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5]HO)(C[5]O[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5]HO)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|O<2>}	H(CC[5]CH)	107.4360	0.037	2	107.4360	0.001	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(CCHH)(H){2|C<4>,2|H<1>}	H(CC[5]CH)	108.5650	0.014	2	108.5650	0.000	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.5980	0.013	2	108.5980	0.000	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|H<1>}	H(CC[5]CH)	107.7420	0.000	1	107.6780	0.092	3	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|H<1>}	H(CC[5]CH)	107.6460	0.423	2	107.6780	0.092	3	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CH)	108.0310	0.033	2	106.7720	2.115	4	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|O<2>,3|H<1>}	H(CC[5]CH)	105.5130	0.048	2	106.7720	2.115	4	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(H){2|C<3>,2|H<1>}	H(CC[5]CH)	108.4545	0.047	2	108.4545	0.002	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHH)(H){1|S<4>,2|H<1>}	H(CC[5]CH)	108.8895	0.012	2	108.8895	0.000	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	H(CC[5]CH)	108.9610	0.026	4	108.9610	0.001	4	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	H(CC[5]CH)	109.0080	1.629	8	109.0080	2.653	8	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)2(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)2(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]CH)	108.5905	0.008	2	108.5905	0.000	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]CH)	107.7470	0.020	2	108.3588	0.332	6	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	108.2995	0.016	2	108.3588	0.332	6	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCHH)(H){4|H<1>}	H(CC[5]CH)	109.0300	0.025	2	108.3588	0.332	6	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	H(CC[5]CH)	109.1710	0.020	2	109.1710	0.000	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH)(H){2|C<3>}	H(CC[5]CH)	109.0725	0.025	4	109.0725	0.001	4	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHH)(H){1|C<4>,1|O<2>}	H(CC[5]CH)	108.4503	0.064	3	108.4503	0.004	3	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	H(CC[5]CH)	108.4257	2.977	3	108.4257	8.860	3	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H){1|C<4>,1|H<1>}	H(CC[5]CH)	107.4545	0.674	2	107.4545	0.454	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)2(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]HH)2(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.9445	0.094	4	108.9445	0.009	4	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]BrC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]BrC)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>}	H(CC[5]CH)	109.1800	0.051	2	109.1800	0.003	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CH)	108.8030	0.282	7	108.8042	0.074	17	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]CH)	108.7910	0.191	6	108.8042	0.074	17	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CH)	109.1850	0.010	2	108.8042	0.074	17	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|O<1>,3|C<4>}	H(CC[5]CH)	108.4675	0.039	2	108.8042	0.074	17	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CH)	109.4348	0.678	4	109.4348	0.460	4	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[6a]C[5]O)(C[5]C[5]HN)(CCHH)(H){1|N<2>,2|H<1>,3|C<3>}	H(CC[5]CH)	108.7390	0.058	2	108.7390	0.003	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHO)(H)2	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHO)(H)2	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]CH)	108.4743	0.253	18	108.4743	0.064	18	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CCHO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	H(CC[5]CH)	109.0205	0.840	4	109.0205	0.705	4	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[3]HH)(H)2	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[3]HH)(H)2	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]CH)	108.6375	0.026	2	108.6375	0.001	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[3]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[3]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(H){1|O<1>,2|H<1>}	H(CC[5]CH)	108.2040	0.000	1	108.2040	0.000	1	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[3]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[3]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CH)	108.7615	0.112	6	108.6727	0.013	13	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[3]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[3]HH)(H)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]CH)	108.5966	0.040	7	108.6727	0.013	13	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[3]HO)(H)2	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[3]HO)(H)2	C[5](C[5]C[3]O[5]H)(C[5]C[5]CH)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]CH)	108.5291	0.276	13	108.5291	0.076	13	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(H)2	C[5](C[5]C[3]C[5]O)(C[5]O[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[5]HH)(H)2	C[5](C[5]C[3]C[5]O)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]CH)	108.9715	0.016	2	108.9715	0.000	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	H(CC[5]CH)	109.3750	0.052	4	109.3750	0.003	4	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	H(CC[5]CH)	109.4425	0.009	2	109.4425	0.000	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[5]HH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	H(CC[5]CH)	108.7600	0.011	2	108.7600	0.000	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6]CH)(H)2	C[5](C[5]C[5]2C)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6]CH)(H)2	C[5](C[5]C[5]2C)(C[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(CC[5]CH)	107.9810	0.034	2	107.9810	0.001	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6]CH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6]CH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|H<1>}	H(CC[5]CH)	107.5835	0.013	2	107.5835	0.000	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6]HH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6]HH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	H(CC[5]CH)	109.2690	0.013	2	109.2690	0.000	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6]HH)(H)2	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CC[6]HH)(H)2	C[5](C[5]C[6,6]C[5]O)(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	H(CC[5]CH)	108.8987	0.442	3	108.8987	0.195	3	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]CH)	108.8825	0.028	2	108.8825	0.001	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5,6]CC)(C[5]N[5,6]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5,6]CC)(C[5]N[5,6]HH)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]CH)	109.2180	0.000	1	109.2180	0.000	1	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(H){1|N<4>,3|H<1>}	H(CC[5]CH)	109.3045	0.861	2	109.3045	0.741	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	H(CC[5]CH)	108.9590	0.027	2	108.9590	0.001	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CN)(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|H<1>}	H(CC[5]CH)	108.9139	0.087	7	108.9139	0.008	7	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHH)(H){1|O<1>}	H(CC[5]CH)	108.9495	0.016	2	108.9495	0.000	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(H){1|C<4>,1|H<1>}	H(CC[5]CH)	109.0570	0.000	1	109.0570	0.000	1	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHI)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CHHI)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(CCHH)(H){1|O<1>}	H(CC[5]CH)	108.9965	0.018	2	108.9965	0.000	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CHHO)(H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5]H)(CCHH)(H){1|H<1>,2|C<4>,4|C<3>}	H(CC[5]CH)	108.9730	0.034	2	108.9730	0.001	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CHHO)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|C<3>}	H(CC[5]CH)	109.6105	0.078	2	109.6105	0.006	2	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CN[5]HH)(H)2	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]2H)(CN[5]HH)(H)2	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(CC[5]CH)	107.5373	0.071	4	107.5373	0.005	4	108.5835	0.546	244	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]BC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]BC)(CCHH)(H){4|H<1>}	H(CC[5]CH)	108.5805	0.005	2	108.5805	0.000	2	108.8721	0.254	28	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]CH)(CCHH)(H){1|C<3>,3|H<1>}	H(CC[5]CH)	108.6550	0.030	2	108.6550	0.001	2	108.8721	0.254	28	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	108.6607	0.223	12	108.6607	0.050	12	108.8721	0.254	28	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]CH)	109.1380	0.573	4	109.1380	0.329	4	108.8721	0.254	28	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]N[5]H)(CHHN)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHH)(H){4|H<1>}	H(CC[5]CH)	109.1835	0.704	8	109.1835	0.496	8	108.8721	0.254	28	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:P[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(CCHH)(H)2	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]P[5]H)(CCHH)(H)2	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CCHH)(H){3|C<3>}	H(CC[5]CH)	108.8543	0.017	4	108.8543	0.000	4	108.4584	0.256	8	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:P[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(P[5]C[5]CC)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]P[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(P[5]C[5]CC)(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	108.0625	0.424	4	108.0625	0.180	4	108.4584	0.256	8	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:S[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]S[5]H)(CHHS)(H)2	C[5](C[5]N[5]HH)(S[5]N[5]OO)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]S[5]H)(CHHS)(H)2	C[5](C[5]N[5]HH)(S[5]N[5]OO)(CCHH)(H){1|C<3>,1|H<1>}	H(CC[5]CH)	109.1725	0.009	2	109.1725	0.000	2	109.1725	0.000	2	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CCCH)(H)2	C[5](N[5,5]C[5,5]B[5]H)(C[5]O[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5,5]C[5]H)(CCCH)(H)2	C[5](N[5,5]C[5,5]B[5]H)(C[5]O[5]HH)(CCHH)(H){1|H<1>,2|C<3>,2|O<2>}	H(CC[5]CH)	108.5280	0.048	4	108.5280	0.002	4	108.5280	0.002	4	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	N[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(CCHH)(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]N[5,6]C[5]H)(CCHH)(H)2	C[5](N[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]CH)	109.1497	0.035	4	109.1497	0.001	4	109.1497	0.001	4	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(CCHH)(H)2	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]P[5]H)(CCHH)(H)2	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]CH)	107.6790	0.000	1	107.6790	0.000	1	108.0917	0.444	33	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(CCHH)(H)2	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]P[5]H)(CCHH)(H)2	C[5](P[5]C[5]PtC)(C[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	107.4370	0.533	8	107.4370	0.285	8	108.0917	0.444	33	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(CCHH)(H)2	C[5](P[5]C[5]SeC)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]P[5]H)(CCHH)(H)2	C[5](P[5]C[5]SeC)(C[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	H(CC[5]CH)	107.6985	0.272	8	107.6985	0.074	8	108.0917	0.444	33	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(CH3)(H)2	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]P[5]H)(CH3)(H)2	C[5](P[5]C[6a]C[5]Rh)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]CH)	108.8134	0.141	12	108.8134	0.020	12	108.0917	0.444	33	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(CRhCH)(H)2	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5]P[5]H)(CRhCH)(H)2	C[5](P[5]C[5]C[6]Rh)(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	H(CC[5]CH)	108.1255	0.358	4	108.1255	0.128	4	108.0917	0.444	33	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C-4:H-1:I-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(H)(I)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHI)(H)	H(CC[5]CI)	C(C[5]C[5,6]C[5]H)(CH3)(H)(I)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHI)(H){2|C<4>,5|H<1>}	H(CC[5]CI)	107.8685	0.554	2	107.8685	0.307	2	107.8685	0.307	2	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[3]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(C[3]C[3]O[3]H)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CC[3]HH)(H)	H(CC[3]C[5]H)	C(C[5]C[5,5,6]C[5]H)(C[3]C[3]O[3]H)(H)2	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CH)(CC[3]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(CC[3]C[5]H)	109.4980	0.045	2	109.4980	0.002	2	109.4980	0.002	2	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(C[5]C[5]2C)(H)2	C[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CH)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5,5]C[5]H)(C[5]C[5]2C)(H)2	C[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CH)(CC[5]HH)(H){1|O<1>,3|C<4>,3|H<1>}	H(CC[5]2H)	107.6460	0.000	1	107.6460	0.000	1	108.0190	0.104	3	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(C[5]C[5]2C)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5,5]C[5]H)(C[5]C[5]2C)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CC[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	H(CC[5]2H)	108.2055	0.013	2	108.2055	0.000	2	108.0190	0.104	3	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H){1|O<1>,2|H<1>}	H(CC[5]2H)	107.7570	0.045	2	107.8367	0.021	6	108.2723	0.553	19	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]HH)(H){4|H<1>}	H(CC[5]2H)	107.8765	0.166	4	107.8367	0.021	6	108.2723	0.553	19	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HH)(H){1|O<1>}	H(CC[5]2H)	108.3060	0.045	2	108.3060	0.002	2	108.2723	0.553	19	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[5]HH)(H){4|H<1>}	H(CC[5]2H)	107.5650	0.017	2	107.5650	0.000	2	108.2723	0.553	19	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2Fe)(C[5]C[5]2H)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[5]HH)(H)	H(CC[5]2H)	C(C[5]C[5]2Fe)(C[5]C[5]2H)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[5]HH)(H){1|H<1>,3|C<4>}	H(CC[5]2H)	108.7124	0.863	9	108.7124	0.744	9	108.2723	0.553	19	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H)	H(CC[5]C[6]H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(CC[5]C[6]H)	107.8390	0.081	2	107.9878	0.076	5	108.1224	0.104	7	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H)	H(CC[5]C[6]H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H){2|C<4>,2|O<1>,4|H<1>}	H(CC[5]C[6]H)	107.8945	0.013	2	107.9878	0.076	5	108.1224	0.104	7	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H)	H(CC[5]C[6]H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]CC)(CC[6]HH)(H){2|O<1>,3|C<4>,3|H<1>}	H(CC[5]C[6]H)	108.4720	0.000	1	107.9878	0.076	5	108.1224	0.104	7	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CC[6]HH)(H)	H(CC[5]C[6]H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]2H)(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(CC[6]HH)(H){1|C<3>,1|S<4>,4|H<1>}	H(CC[5]C[6]H)	108.4590	0.048	2	108.4590	0.002	2	108.1224	0.104	7	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2C)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HH)(H)	H(CC[5]C[6]H)	C(C[5]C[5]2H)(C[6]C[6]2C)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HH)(H){4|H<1>}	H(CC[5]C[6]H)	108.3732	0.096	6	108.3732	0.009	6	108.1025	0.351	10	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	C[5](C[5]C[5]CC)2(CC[6]HH)(H)	H(CC[5]C[6]H)	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	C[5](C[5]C[5]CC)2(CC[6]HH)(H){1|C<4>,3|H<1>}	H(CC[5]C[6]H)	106.9875	0.009	2	106.9875	0.000	2	108.1025	0.351	10	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6]HH)(H)	H(CC[5]C[6]H)	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[6]HH)(H){4|H<1>}	H(CC[5]C[6]H)	108.4055	0.005	2	108.4055	0.000	2	108.1025	0.351	10	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:N-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(NCHH)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5,6]C[5]H)(NCHH)(H)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]CH)(CHHN)(H){1|C<4>,3|C<3>}	H(CC[5]HN)	108.3515	0.263	4	108.3515	0.069	4	108.3515	0.069	4	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:N-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NCCH)(H)2	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NCCH)(H)2	C[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CHHN)(H){2|C<3>,4|H<1>}	H(CC[5]HN)	108.9540	0.000	1	108.9540	0.000	1	109.2237	0.056	3	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:N-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(NCHH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]2H)(NCHH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CHHN)(H){1|C<2>,1|N<3>,4|H<1>}	H(CC[5]HN)	109.3585	0.052	2	109.3585	0.003	2	109.2237	0.056	3	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:N-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NH3)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NH3)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CHHN)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]HN)	109.0250	0.014	2	109.0250	0.000	2	109.0250	0.000	2	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:N-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NC[6a]PdH)(H)2	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NC[6a]PdH)(H)2	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	H(CC[5]HN)	109.3935	0.015	2	109.3935	0.000	2	109.1435	0.062	26	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:N-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NCoCH)(H)2	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NCoCH)(H)2	C[5](N[5]C[5]CoH)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	H(CC[5]HN)	109.6645	0.039	2	109.6645	0.002	2	109.1435	0.062	26	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:N-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NFeCC)(H)2	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NFeCC)(H)2	C[5](N[5]C[5]FeC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	H(CC[5]HN)	109.1385	0.039	2	109.1385	0.002	2	109.1435	0.062	26	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:N-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NMgCC)(H)2	C[5](N[5]C[5]MgC)(C[5]C[5]HH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NMgCC)(H)2	C[5](N[5]C[5]MgC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	H(CC[5]HN)	109.2206	0.212	8	109.2206	0.045	8	109.1435	0.062	26	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:N-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NMnCC)(H)2	C[5](N[5]C[5]MnC)(C[5]C[5]HH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NMnCC)(H)2	C[5](N[5]C[5]MnC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	H(CC[5]HN)	108.8825	0.073	4	108.8825	0.005	4	109.1435	0.062	26	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:N-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(NZnCC)(H)2	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(CHHN)(H)	H(CC[5]HN)	C(C[5]C[5]N[5]H)(NZnCC)(H)2	C[5](N[5]C[5]ZnC)(C[5]C[5]HH)(CHHN)(H){4|H<1>}	H(CC[5]HN)	109.0055	0.096	8	109.0055	0.009	8	109.1435	0.062	26	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:N[5]-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(N[5]C[5]2Pd)(H)2	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CN[5]HH)(H)	H(CC[5]N[5]H)	C(C[5]C[5]N[5]H)(N[5]C[5]2Pd)(H)2	C[5](N[5]C[5]PdH)(C[5]C[5]HH)(CN[5]HH)(H){4|H<1>}	H(CC[5]N[5]H)	109.2505	0.028	2	109.2505	0.001	2	109.2505	0.001	2	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:N[6]-4:H-1:H-1:	B[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]B[5]C[5]H)(N[6]C[6]2H)(H)2	C[5](B[5]C[6a]2O[5])(C[5]C[5]HH)(CN[6]HH)(H)	H(CC[5]N[6]H)	C(C[5]B[5]C[5]H)(N[6]C[6]2H)(H)2	C[5](B[5]C[6a]2O[5])(C[5]C[5]HH)(CN[6]HH)(H){2|C<4>,4|C<3>}	H(CC[5]N[6]H)	108.4340	0.017	2	108.4340	0.000	2	108.4340	0.000	2	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:O-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OLi3)(H)2	C[5](N[5]C[5]LiC)(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OLi3)(H)2	C[5](N[5]C[5]LiC)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	H(CC[5]HO)	109.0580	0.024	6	109.0580	0.001	6	109.0580	0.001	6	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:P-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(PC[6a]2Mo)(H)2	C[5](N[5]C[5]MoH)(C[5]C[5]HH)(CHHP)(H)	H(CC[5]HP)	C(C[5]C[5]N[5]H)(PC[6a]2Mo)(H)2	C[5](N[5]C[5]MoH)(C[5]C[5]HH)(CHHP)(H){4|H<1>}	H(CC[5]HP)	109.9698	0.601	4	109.9698	0.361	4	109.1733	51.253	8	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:P-4:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(PC[6a]2Ru)(H)2	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(CHHP)(H)	H(CC[5]HP)	C(C[5]C[5]N[5]H)(PC[6a]2Ru)(H)2	C[5](N[5]C[5]RuH)(C[5]C[5]HH)(CHHP)(H){4|H<1>}	H(CC[5]HP)	108.3769	10.841	4	108.3769	117.538	4	109.1733	51.253	8	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:S-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(SC[5a]OO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5,5]C[5]H)(SC[5a]OO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(CHHS)(H){1|C<4>,1|O<2>,3|H<1>}	H(CC[5]HS)	108.2785	0.029	2	108.2785	0.001	2	108.3488	0.032	6	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:S-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(SC[6a]OO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HN)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5,5]C[5]H)(SC[6a]OO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HN)(CHHS)(H){1|H<1>,2|C<4>}	H(CC[5]HS)	108.5695	0.053	2	108.5695	0.003	2	108.3488	0.032	6	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:S-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(SC[6a]OO)(H)2	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5,5]C[5]H)(SC[6a]OO)(H)2	C[5](C[5,5]C[5,6a]N[5,6]C[5])(C[5]C[5,6]HS)(CHHS)(H){1|C<4>,1|O<1>,4|C<3>}	H(CC[5]HS)	108.1985	0.059	2	108.1985	0.003	2	108.3488	0.032	6	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(SC[6a]OO)(H)2	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CHHS)(H)	H(CC[5]HS)	C(C[5]C[5]2H)(SC[6a]OO)(H)2	C[5](C[5]C[5]HO)(C[5]O[5]CH)(CHHS)(H){1|C<4>,1|H<1>}	H(CC[5]HS)	108.5865	0.035	2	108.5865	0.001	2	108.5865	0.001	2	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:1:	4:	C[5]-4:Si-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(SiC[6a]CC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CSiHH)(H)	H(CC[5]SiH)	C(C[5]C[5,6]C[5]H)(SiC[6a]CC)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)(CSiHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(CC[5]SiH)	108.0910	0.024	2	108.0910	0.001	2	108.0910	0.001	2	108.5670	1.089	565	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]2O)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5,5]HH)(OH)	H(CC[5,5]C[5]H)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]2O)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5,5]HH)(OH){1|C<4>,1|O<2>,2|H<1>}	H(CC[5,5]C[5]H)	107.1700	0.099	8	107.1700	0.010	8	107.1700	0.010	8	108.1105	0.492	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]O)(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CCHH)(OH){1|H<1>,4|C<4>}	H(CC[5]CH)	108.9730	0.013	2	108.9730	0.000	2	108.9730	0.000	2	108.1105	0.492	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(CCHH)(OH){2|C<4>,5|H<1>}	H(CC[5]CH)	108.4215	0.085	6	108.4215	0.007	6	108.3965	0.346	16	108.1105	0.492	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OC)	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OC){2|C<4>,5|H<1>}	H(CC[5]CH)	108.6280	0.011	2	108.6280	0.000	2	108.3965	0.346	16	108.1105	0.492	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHH)(OH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5]CH)	106.9865	0.114	2	106.9865	0.013	2	108.3965	0.346	16	108.1105	0.492	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(CC[3]HH)(H)2	C[5](C[5,6]C[5,5,6]O[5,6]O)(C[5]C[5,6]CH)(CCHH)(OC)	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CC[3]HH)(H)2	C[5](C[5,6]C[5,5,6]O[5,6]O)(C[5]C[5,6]CH)(CCHH)(OC){1|H<1>,1|O<2>,3|C<4>}	H(CC[5]CH)	108.7537	0.284	4	108.7537	0.080	4	108.3965	0.346	16	108.1105	0.492	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(CH3)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5,6]C[5]O)(CH3)(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(CCHH)(OH){1|O<1>,2|C<4>,4|H<1>}	H(CC[5]CH)	108.7855	0.016	2	108.7855	0.000	2	108.3965	0.346	16	108.1105	0.492	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(OSi)	H(CC[5]CH)	C(C[5]C[5]2O)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(OSi){4|H<1>}	H(CC[5]CH)	108.4375	0.040	2	108.4375	0.002	2	108.0646	0.379	27	108.1105	0.492	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH){2|C<4>,2|H<1>}	H(CC[5]CH)	107.9730	0.006	2	107.5030	0.296	4	108.0646	0.379	27	108.1105	0.492	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(OH){4|H<1>}	H(CC[5]CH)	107.0330	0.061	2	107.5030	0.296	4	108.0646	0.379	27	108.1105	0.492	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCHH)(H)2	C[5](C[5]C[5]CH)2(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCHH)(H)2	C[5](C[5]C[5]CH)2(CCHH)(OH){1|C<3>,2|H<1>}	H(CC[5]CH)	108.4540	0.023	2	108.1808	0.100	4	108.0646	0.379	27	108.1105	0.492	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCHH)(H)2	C[5](C[5]C[5]CH)2(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCHH)(H)2	C[5](C[5]C[5]CH)2(CCHH)(OH){1|C<4>,3|H<1>}	H(CC[5]CH)	107.9075	0.013	2	108.1808	0.100	4	108.0646	0.379	27	108.1105	0.492	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCHH)(H)2	C[5](C[5]S[5]HH)2(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CCHH)(H)2	C[5](C[5]S[5]HH)2(CCHH)(OH)	H(CC[5]CH)	108.4025	0.019	2	108.4025	0.000	2	108.0646	0.379	27	108.1105	0.492	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CC[3]CH)(H)2	C[5](C[5]C[5]CH)2(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CC[3]CH)(H)2	C[5](C[5]C[5]CH)2(CCHH)(OH){4|H<1>}	H(CC[5]CH)	108.5714	0.161	8	108.5714	0.026	8	108.0646	0.379	27	108.1105	0.492	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CC[5,6]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CC[5,6]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHH)(OH){1|O<2>,3|H<1>}	H(CC[5]CH)	107.8798	0.384	5	107.8798	0.147	5	108.0646	0.379	27	108.1105	0.492	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CN[5]HH)(H)2	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(OH)	H(CC[5]CH)	C(C[5]C[5]2O)(CN[5]HH)(H)2	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O[5]O)(CCHH)(OH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(CC[5]CH)	106.6800	0.035	2	106.6800	0.001	2	108.0646	0.379	27	108.1105	0.492	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2H)(C[5]C[5]2O)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5]HH)(OH)	H(CC[5]2H)	C(C[5]C[5]2H)(C[5]C[5]2O)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[5]HH)(OH){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]2H)	108.9313	0.014	3	108.9313	0.000	3	108.9313	0.000	3	108.1105	0.492	56	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(CCHH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CCHH)(CCO)	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CCHH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CCHH)(CCO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]CH)	109.4587	1.260	4	109.4587	1.588	4	108.4939	0.997	14	108.3397	1.137	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(CCHH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CCHH)(CCO)	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CCHH)(H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CCHH)(CCO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(CC[5]CH)	107.4585	0.016	2	107.4585	0.000	2	108.4939	0.997	14	108.3397	1.137	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(CCHH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCHH)(CCO)	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CCHH)(H)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CCHH)(CCO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(CC[5]CH)	108.4690	0.295	4	108.4690	0.087	4	108.4939	0.997	14	108.3397	1.137	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(CCHH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH)(CCO)	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CCHH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH)(CCO){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(CC[5]CH)	108.5245	0.053	2	108.5245	0.003	2	108.4939	0.997	14	108.3397	1.137	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(CCHH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(CCHH)(CCO)	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CCHH)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)(CCHH)(CCO){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(CC[5]CH)	107.6185	0.729	2	107.6185	0.531	2	108.4939	0.997	14	108.3397	1.137	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:N-3:	C-4:	C(C[5]C[5,5]C[5]N)(CCHO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CCHH)(NCH)	H(CC[5]CH)	C(C[5]C[5,5]C[5]N)(CCHO)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CCHH)(NCH){1|C<4>,1|H<1>,1|O<2>}	H(CC[5]CH)	107.3165	0.005	2	107.3165	0.000	2	107.3165	0.000	2	108.3397	1.137	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CC[6a]HH)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(COO){1|C<4>,3|H<1>}	H(CC[5]CH)	108.6125	0.073	2	108.6125	0.005	2	108.3115	2.069	4	108.3397	1.137	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:3:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-4:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CHHS)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(COO)	H(CC[5]CH)	C(C[5]C[5]N[5]C)(CHHS)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]HH)(CCHH)(COO){1|C<4>,3|H<1>}	H(CC[5]CH)	108.0105	2.416	2	108.0105	5.838	2	108.3115	2.069	4	108.3397	1.137	20	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5,6]C)(CCHH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]Cl)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,5]C[5,6]C)(CCHH)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]Cl)(CCHH)(CH3){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(CC[5]CH)	108.4920	0.010	2	108.4920	0.000	2	108.4920	0.000	2	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(CF3)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]O[5]HH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CF3)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N)(C[5]O[5]HH)(CCHH)(CH3){1|N<3>,3|C<3>}	H(CC[5]CH)	107.8980	0.000	1	107.8980	0.000	1	108.2458	0.046	5	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(CH3)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CH3)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCHH)(CH3){2|C<4>,2|O<1>}	H(CC[5]CH)	108.4215	0.016	2	108.4215	0.000	2	108.2458	0.046	5	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(CHHO)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,5]C[5]C)(CHHO)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]O[5]HH)(CCHH)(CH3){2|C<3>,2|O<1>}	H(CC[5]CH)	108.2440	0.004	2	108.2440	0.000	2	108.2458	0.046	5	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)(CH3){2|C<4>,2|O<2>,3|H<1>}	H(CC[5]CH)	107.6260	0.239	4	107.6260	0.057	4	107.6692	0.329	10	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(CCHH)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(CC[5]CH)	108.4870	0.000	1	108.4870	0.000	1	107.6692	0.329	10	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6,6]HH)(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CC[5]CH)	108.8150	0.000	1	108.8150	0.000	1	107.6692	0.329	10	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(CCHH)(CH3){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]CH)	107.2215	0.028	4	107.2215	0.001	4	107.6692	0.329	10	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(CCHH)(CH3){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CH)	107.8060	0.000	2	107.8060	0.000	2	108.0336	0.705	44	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCHH)(CH3){4|H<1>}	H(CC[5]CH)	106.3520	0.009	4	106.3520	0.000	4	108.0336	0.705	44	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCHO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CCHO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3){1|C<3>,1|O<1>}	H(CC[5]CH)	107.8040	0.013	2	107.8040	0.000	2	108.0336	0.705	44	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CC[3]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CC[3]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCHH)(CH3){4|H<1>}	H(CC[5]CH)	107.7395	0.060	4	107.7395	0.004	4	108.0336	0.705	44	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CC[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CC[5]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3){1|C<3>,1|O<1>}	H(CC[5]CH)	106.4100	0.052	2	106.4100	0.003	2	108.0336	0.705	44	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CCHH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5]CH)	108.3470	0.061	2	108.1472	0.055	4	108.0336	0.705	44	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CCHH)(CH3){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(CC[5]CH)	107.9475	0.047	2	108.1472	0.055	4	108.0336	0.705	44	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)(CH3){1|O<1>,2|H<1>}	H(CC[5]CH)	108.4220	0.053	4	108.4220	0.003	4	108.0336	0.705	44	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HO)(C[5]O[5]HO)(CCHH)(CH3){1|C<4>,1|H<1>}	H(CC[5]CH)	108.4770	0.018	2	108.4770	0.000	2	108.0336	0.705	44	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HO)2(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]HO)2(CCHH)2{1|C<4>,3|H<1>}	H(CC[5]CH)	108.3953	0.165	4	108.3953	0.027	4	108.0336	0.705	44	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]N[5]AlH)(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]N[5]AlH)(C[5]C[5]HH)(CCHH)2{1|C<3>,2|C<4>}	H(CC[5]CH)	108.3326	0.152	7	108.3326	0.023	7	108.0336	0.705	44	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(CCHH)2	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]N[5a]N[5]H)(C[5]C[5]HH)(CCHH)2{2|C<4>,3|C<3>}	H(CC[5]CH)	108.3300	0.208	4	108.3300	0.043	4	108.0336	0.705	44	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CHHO)(H)2	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CHHO)(H)2	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CCHH)(CH3){1|O<1>}	H(CC[5]CH)	108.2730	0.183	3	108.2730	0.033	3	108.0336	0.705	44	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CHHO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCHH)(CH3)	H(CC[5]CH)	C(C[5]C[5]2C)(CHHO)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCHH)(CH3){1|O<1>,2|H<1>}	H(CC[5]CH)	109.8975	1.699	2	109.8975	2.887	2	108.0336	0.705	44	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[3,5]C[5]C)(C[5]C[5]O[5]H)(H)2	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]CH)(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[3,5]C[5]C)(C[5]C[5]O[5]H)(H)2	C[5](C[3,5]C[3,5]O[3]C)(C[5]C[5]CH)(CC[5]HH)(CH3){3|H<1>}	H(CC[5]2H)	108.5910	0.037	2	108.5910	0.001	2	108.5910	0.001	2	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(C[5]C[5]O[5]O)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C[6]H)(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[5,5]C[5]C)(C[5]C[5]O[5]O)(H)2	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]C[6]H)(CC[5]HH)(CH3){4|C<4>,5|H<1>}	H(CC[5]2H)	107.7900	0.018	2	107.7900	0.000	2	107.7900	0.000	2	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]H)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[5,5]C[5]H)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[5]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5]2H)	108.1915	0.013	2	108.1915	0.000	2	107.9237	0.039	20	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]H)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[5,5]C[5]H)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3){4|H<1>}	H(CC[5]2H)	107.6275	0.013	2	107.6275	0.000	2	107.9237	0.039	20	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]2H)	107.8792	0.196	4	107.8792	0.038	4	107.9237	0.039	20	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3){1|C<4>,3|H<1>}	H(CC[5]2H)	107.9933	0.132	6	107.9933	0.017	6	107.9237	0.039	20	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HH)(CH3){1|O<2>,3|H<1>}	H(CC[5]2H)	108.0500	0.010	2	108.0500	0.000	2	107.9237	0.039	20	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]CH)(CC[5]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5]2H)	107.9690	0.010	2	107.9690	0.000	2	107.9237	0.039	20	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3)	H(CC[5]2H)	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HH)(CH3){1|C<4>,3|H<1>}	H(CC[5]2H)	107.6610	0.024	2	107.6610	0.001	2	107.9237	0.039	20	107.9956	0.441	85	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	5:4:3:4:	4:	C[5]-4:C-4:H-1:H-1:	C[5]-5:C[5]-4:C-3:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]PdCH)(C[5]C[5]PdC)(CC[6a]C)(CCHH)	H(CC[5]CH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]PdCH)(C[5]C[5]PdC)(CC[6a]C)(CCHH){2|C<4>}	H(CC[5]CH)	107.9630	0.000	1	107.9630	0.000	1	107.9630	0.000	1	107.9630	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	6:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H){1|C<3>,4|H<1>,5|B<6>}	H(CC[5]CH)	108.6499	0.141	7	108.7809	0.083	9	108.6017	0.112	19	108.6017	0.112	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	6:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CCHH)(H){1|O<1>,4|H<1>,5|B<6>}	H(CC[5]CH)	109.2395	0.030	2	108.7809	0.083	9	108.6017	0.112	19	108.6017	0.112	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	6:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[6a]C[5]H)(CCHH)(H){2|C<3>,5|B<6>,6|H<1>}	H(CC[5]CH)	108.2860	0.008	2	108.2860	0.000	2	108.6017	0.112	19	108.6017	0.112	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	6:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]P[5]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]P[5]HH)(CCHH)(H){1|C<3>,1|O<1>,4|H<1>,5|B<6>}	H(CC[5]CH)	108.6525	0.018	2	108.6525	0.000	2	108.6017	0.112	19	108.6017	0.112	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:1:1:	6:4:4:1:	4:	C[5]-4:C-4:H-1:H-1:	C[5x3,6x5,20x6]-6:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(CCHH)(H)	H(CC[5]CH)	C(C[5]C[5x3,6x5,20x6]C[5]H)(CCHH)(H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[5]C[5,6]HH)(CCHH)(H){1|C<3>,4|H<1>,5|B<6>}	H(CC[5]CH)	108.4212	0.363	6	108.4212	0.131	6	108.6017	0.112	19	108.6017	0.112	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6a]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6a]O[5]H)(CH3)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,6a]O[5]H)(CH3)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CO)	108.3555	1.156	6	108.3555	1.337	6	108.3555	1.337	6	107.0913	14.459	42	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	H(CC[5]CO)	108.3280	0.000	1	108.3280	0.000	1	108.3275	1.102	26	107.0913	14.459	42	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]O[5]C)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]O[5]C)(O[5]C[5])(CCHO)(H){1|O<1>}	H(CC[5]CO)	108.6050	0.000	1	108.6050	0.000	1	108.3275	1.102	26	107.0913	14.459	42	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[3]CH)(OC)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[3]CH)(OC)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	H(CC[5]CO)	109.3880	0.000	1	109.3880	0.000	1	108.3275	1.102	26	107.0913	14.459	42	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	H(CC[5]CO)	108.2510	0.219	2	108.2510	0.048	2	108.3275	1.102	26	107.0913	14.459	42	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	H(CC[5]CO)	111.0660	0.000	1	111.0660	0.000	1	108.3275	1.102	26	107.0913	14.459	42	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>}	H(CC[5]CO)	108.7820	0.000	1	108.7820	0.000	1	108.3275	1.102	26	107.0913	14.459	42	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	H(CC[5]CO)	108.7710	0.000	1	108.0971	0.976	19	108.3275	1.102	26	107.0913	14.459	42	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|N<2>,1|O<1>}	H(CC[5]CO)	109.2200	0.000	1	108.0971	0.976	19	108.3275	1.102	26	107.0913	14.459	42	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|N<4>,1|O<1>}	H(CC[5]CO)	107.6625	0.223	2	108.0971	0.976	19	108.3275	1.102	26	107.0913	14.459	42	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|O<1>,1|O<2>}	H(CC[5]CO)	108.0353	1.048	15	108.0971	0.976	19	108.3275	1.102	26	107.0913	14.459	42	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	N[5]-3:S[5]-2:C-4:H-1:	C-4:	C(C[5]N[5]S[5]H)(CCHN)(OC)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]N[5]S[5]H)(CCHN)(OC)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCHO)(H){1|C<3>,3|H<1>}	H(CC[5]CO)	106.7290	0.000	1	106.7290	0.000	1	98.4970	33.757	5	107.0913	14.459	42	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	N[5]-3:S[5]-2:C-4:H-1:	C-4:	C(C[5]N[5]S[5]H)(CCHO)(OH)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]N[5]S[5]H)(CCHO)(OH)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCHO)(H){1|C<3>,3|H<1>}	H(CC[5]CO)	96.4390	4.095	4	96.4390	16.773	4	98.4970	33.757	5	107.0913	14.459	42	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]C)(O[5]C[5])(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]C)(O[5]C[5])(CC[5]HO)(H){1|O<1>}	H(CC[5]2O)	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	107.0913	14.459	42	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	N[5]-3:S[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[5]N[5]S[5]H)(OC)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]O[5]H)(C[5]N[5]S[5]H)(OC)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CC[5]HO)(H){1|C<3>,3|H<1>}	H(CC[5]2O)	106.4120	0.000	1	106.4120	0.000	1	106.4120	0.000	1	107.0913	14.459	42	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:1:	4:	C[5]-4:C[6]-4:N-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6])(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H)	H(CC[5]C[6]N)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6])(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H){1|H<1>,1|O<1>}	H(CC[5]C[6]N)	108.3500	0.000	1	108.3500	0.000	1	108.3500	0.000	1	107.0913	14.459	42	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:1:	4:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CC[6]HO)(H)	H(CC[5]C[6]O)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CC[6]HO)(H){1|O<2>,3|C<4>}	H(CC[5]C[6]O)	108.4950	0.000	1	108.4950	0.000	1	107.9950	0.500	2	107.0913	14.459	42	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:1:	4:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(OH)(H)	C[5](C[5]C[5]Br)(O[5]C[5])(CC[6]HO)(H)	H(CC[5]C[6]O)	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(OH)(H)	C[5](C[5]C[5]Br)(O[5]C[5])(CC[6]HO)(H){1|H<1>,1|O<1>}	H(CC[5]C[6]O)	107.4950	0.000	1	107.4950	0.000	1	107.9950	0.500	2	107.0913	14.459	42	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6a]O[5]C)(CHHO)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(CH3)	H(CC[5]CO)	C(C[5]C[5,6a]O[5]C)(CHHO)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(CC[5]CO)	107.3520	0.464	2	107.3520	0.215	2	107.3520	0.215	2	107.6148	0.234	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCCH)(OC)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CCHO)(CH3)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CCCH)(OC)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CCHO)(CH3){1|C<3>}	H(CC[5]CO)	107.5530	0.000	1	107.5530	0.000	1	107.8775	0.211	2	107.6148	0.234	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:2:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(CH3)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(CH3){1|C<3>,1|H<1>}	H(CC[5]CO)	108.2020	0.000	1	108.2020	0.000	1	107.8775	0.211	2	107.6148	0.234	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:3:3:4:	4:	C[5]-4:C-4:C-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CHHN)(CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6a]C[6a]C[5])(CHHN)(CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH){3|H<1>,4|C<3>}	H(CC[5]CC)	107.6790	0.000	1	107.6790	0.000	1	107.6790	0.000	1	107.6790	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>}	H(CC[5]CO)	108.8880	0.000	1	108.8880	0.000	1	108.6305	0.167	4	108.5377	0.358	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CO)	108.6590	0.000	1	108.6590	0.000	1	108.6305	0.167	4	108.5377	0.358	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	H(CC[5]CO)	108.0450	0.000	1	108.0450	0.000	1	108.6305	0.167	4	108.5377	0.358	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CO)	108.9300	0.000	1	108.9300	0.000	1	108.6305	0.167	4	108.5377	0.358	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHO)(H){1|C<4>,1|O<1>,2|C<3>}	H(CC[5]CO)	107.5810	0.000	1	107.5810	0.000	1	107.5810	0.000	1	108.5377	0.358	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]O[5]H)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HO)(H){1|O<1>}	H(CC[5]2O)	109.1230	0.000	1	109.1230	0.000	1	109.1230	0.000	1	108.5377	0.358	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:3:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHO)(OSi)	H(CC[5]CO)	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHO)(OSi){2|C<3>,2|H<1>}	H(CC[5]CO)	107.2780	0.731	2	107.2780	0.535	2	107.2780	0.535	2	107.2780	0.535	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:3:4:3:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHO)(COO)	H(CC[5]CO)	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHO)(COO){1|O<1>,2|C<4>}	H(CC[5]CO)	109.4500	0.552	2	109.4500	0.304	2	109.4500	0.304	2	109.4500	0.304	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:3:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CF3)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CCHO)	H(CC[5]CO)	C(C[5]C[5,6a]C[5]C)(CF3)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CCHO){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CO)	108.4600	0.000	1	108.4600	0.000	1	108.4600	0.000	1	107.8953	0.154	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:3:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCCH)(OH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)(CH3)	H(CC[5]CO)	C(C[5]C[5]2C)(CCCH)(OH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)(CH3){1|C<4>}	H(CC[5]CO)	107.6030	0.000	1	107.6030	0.000	1	107.6030	0.000	1	107.8953	0.154	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	H(CC[5]2O)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	H(CC[5]2O)	107.6610	0.000	1	107.7590	0.019	2	107.7590	0.019	2	107.8953	0.154	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	H(CC[5]2O)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){3|H<1>}	H(CC[5]2O)	107.8570	0.000	1	107.7590	0.019	2	107.7590	0.019	2	107.8953	0.154	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(OH)(H)	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CC[5]HH)(OH)(H)	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHO)(H){1|C<4>,1|O<2>}	H(CC[5]CO)	109.7540	0.000	1	109.7540	0.000	1	109.7540	0.000	1	108.7133	0.582	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CCHH)(OH)(H)	C[5](N[5,5]N[5,6a]C[5,5])(C[5]C[5]HH)(CCHO)(H)	H(CC[5]CO)	C(C[5]N[5,5]C[5]H)(CCHH)(OH)(H)	C[5](N[5,5]N[5,6a]C[5,5])(C[5]C[5]HH)(CCHO)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]CO)	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	108.7133	0.582	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	N[5,5a]-3:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5a]C[5,5]H)(CH3)(OH)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]O[5]H)(CCHO)(H)	H(CC[5]CO)	C(C[5]N[5,5a]C[5,5]H)(CH3)(OH)(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]O[5]H)(CCHO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(CC[5]CO)	107.9570	0.000	1	107.9570	0.000	1	107.9570	0.000	1	108.7133	0.582	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCHO)(H){1|O<1>,2|C<3>}	H(CC[5]CO)	108.4110	0.000	1	108.4110	0.000	1	108.4110	0.000	1	108.7133	0.582	4	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	3:4:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHO)(CH3)	H(CC[5]CO)	C(C[5]C[5,6]C[5]C)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHO)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CC[5]CO)	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:N-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(NN)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHH)(NN)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H){2|H<1>,2|O<2>}	H(CC[5]CN)	110.1150	0.000	1	110.1150	0.000	1	109.1342	0.424	9	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:N-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHN)(NS)(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHN)(NS)(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<2>,3|C<4>}	H(CC[5]CN)	107.9680	0.000	1	107.9680	0.000	1	109.1342	0.424	9	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:N-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHN)(NS)(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CHHN)(NS)(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<2>,3|C<4>}	H(CC[5]CN)	109.4400	0.000	1	109.4400	0.000	1	109.1342	0.424	9	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:N-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H){2|H<1>,2|O<2>}	H(CC[5]CN)	108.9992	0.380	5	108.9992	0.144	5	109.1342	0.424	9	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:N-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHN)(H){1|C<4>,1|O<1>}	H(CC[5]CN)	109.6890	0.000	1	109.6890	0.000	1	109.1342	0.424	9	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[3,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[3,5]O[5]H)(CHHO)(OH)(H)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[3,5]O[5]H)(CHHO)(OH)(H)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHO)(H){1|N<3>,2|H<1>}	H(CC[5]CO)	108.4927	0.330	3	108.4927	0.109	3	108.4927	0.109	3	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CCHO)(OC)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5]O[5]H)(CCHO)(OC)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[5]CO)	109.5105	0.861	2	109.5105	0.741	2	109.0350	0.798	5	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(CC[5]CO)	109.3240	0.000	1	109.2480	0.012	2	109.0350	0.798	5	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CO)	109.1720	0.000	1	109.2480	0.012	2	109.0350	0.798	5	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CHHO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5]O[5]H)(CHHO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	H(CC[5]CO)	107.6580	0.000	1	107.6580	0.000	1	109.0350	0.798	5	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CCHH)(OSi)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,6]O[5]H)(CCHH)(OSi)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>,3|H<1>}	H(CC[5]CO)	109.4490	0.000	1	109.4490	0.000	1	108.8820	0.643	2	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]O[5]H)(CH3)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,6]O[5]H)(CH3)(OH)(H)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(CC[5]CO)	108.3150	0.000	1	108.3150	0.000	1	108.8820	0.643	2	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){4|H<1>}	H(CC[5]CO)	107.7100	0.000	1	107.7100	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<2>,3|C<4>}	H(CC[5]CO)	108.0880	0.000	1	108.0880	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(CC[5]CO)	106.8230	0.000	1	106.8230	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(CC[5]CO)	107.8280	1.276	2	107.8280	1.627	2	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(OC)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCCH)(OC)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(CC[5]CO)	111.5720	0.000	1	111.5720	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCCH)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<3>}	H(CC[5]CO)	109.3410	0.000	1	109.3410	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<1>,1|O<1>}	H(CC[5]CO)	108.9290	0.000	1	109.4006	0.202	15	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	H(CC[5]CO)	109.3428	0.414	12	109.4006	0.202	15	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CO)	109.9835	0.011	2	109.4006	0.202	15	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCCO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	H(CC[5]CO)	108.2900	0.550	4	108.2900	0.302	4	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	H(CC[5]CO)	109.2130	0.000	1	109.2130	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	H(CC[5]CO)	108.8775	0.743	2	108.8775	0.552	2	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(CC[5]CO)	109.9197	0.474	3	109.9197	0.224	3	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CO)	105.4760	0.482	2	107.7027	2.495	7	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	H(CC[5]CO)	108.3070	0.249	2	107.7027	2.495	7	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	H(CC[5]CO)	108.7843	0.511	3	107.7027	2.495	7	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	H(CC[5]CO)	108.7560	0.000	1	108.7560	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){1|O<1>}	H(CC[5]CO)	107.4700	0.000	1	106.1863	23.415	3	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(CC[5]CO)	105.5445	6.660	2	106.1863	23.415	3	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(CC[5]CO)	109.5490	0.000	1	109.5490	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(OSi)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHH)(OSi)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	H(CC[5]CO)	109.1710	0.000	1	109.1710	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	H(CC[5]CO)	107.4840	0.127	2	107.4840	0.016	2	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(CC[5]CO)	108.6115	0.614	2	108.6115	0.378	2	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,2|C<3>}	H(CC[5]CO)	108.4920	0.000	1	108.4920	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C[5](C[5]N[5a]O[5]H)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C[5](C[5]N[5a]O[5]H)(O[5]C[5])(CCHO)(H){1|C<3>,1|N<2>,2|C<4>}	H(CC[5]CO)	108.8215	0.122	2	108.8215	0.015	2	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>}	H(CC[5]CO)	108.9720	0.008	2	108.9720	0.000	2	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(CC[5]CO)	109.6470	0.000	1	109.1255	0.544	2	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|H<1>}	H(CC[5]CO)	108.6040	0.000	1	109.1255	0.544	2	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	H(CC[5]CO)	108.1220	0.000	1	108.1220	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>}	H(CC[5]CO)	106.4240	0.000	1	106.4240	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){3|C<4>}	H(CC[5]CO)	107.9077	0.517	3	107.9077	0.268	3	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(CC[5]CO)	104.3820	0.000	1	104.3820	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(CC[5]CO)	110.0030	0.000	1	110.0030	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CO)	107.9330	0.000	1	107.9330	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]CO)(OH)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[5]CO)(OH)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCHO)(H){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]CO)	107.3750	0.420	2	107.3750	0.176	2	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]HN)(OC)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[5]HN)(OC)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(CC[5]CO)	108.3410	0.074	2	108.3410	0.005	2	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H){2|C<4>}	H(CC[5]CO)	108.1415	0.728	2	108.1415	0.529	2	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(CC[5]CO)	108.0327	0.879	3	108.0327	0.773	3	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CO)	108.8973	0.175	3	108.8100	0.051	4	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	H(CC[5]CO)	108.5480	0.000	1	108.8100	0.051	4	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CC[6a]HH)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|N<3>,3|H<1>}	H(CC[5]CO)	107.5215	0.829	2	107.5215	0.688	2	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CClCC)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CClCC)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	H(CC[5]CO)	107.4660	0.000	1	107.4660	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CO)	107.8935	0.903	4	107.8935	0.815	4	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	H(CC[5]CO)	107.4490	0.748	2	107.4490	0.560	2	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|C<4>,1|H<1>,2|O<2>}	H(CC[5]CO)	109.2280	0.206	2	109.1445	0.217	6	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|N<3>,1|O<2>,2|H<1>}	H(CC[5]CO)	109.8280	0.000	1	109.1445	0.217	6	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	H(CC[5]CO)	108.8610	0.401	3	109.1445	0.217	6	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>}	H(CC[5]CO)	110.0230	0.000	1	110.0230	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(CC[5]CO)	108.7840	0.000	1	108.7840	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	H(CC[5]CO)	108.6600	0.000	1	108.6600	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	H(CC[5]CO)	108.4710	0.000	1	108.4710	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,5]HS)(O[5]C[5,5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,5]HS)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	H(CC[5]CO)	109.4750	0.472	2	109.4750	0.223	2	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CO)	107.8790	0.000	1	107.8790	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,6]O[5]H)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,6]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|N<3>,3|C<4>}	H(CC[5]CO)	109.4460	0.000	1	109.4460	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,6]SiH)(O[5]C[5,6])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5,6]SiH)(O[5]C[5,6])(CCHO)(H){1|H<1>,3|C<4>}	H(CC[5]CO)	108.3210	0.000	1	108.3210	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]CO)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]CO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	H(CC[5]CO)	108.8070	0.000	1	108.8070	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>}	H(CC[5]CO)	107.4200	0.000	1	107.4200	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	H(CC[5]CO)	109.9910	0.280	2	109.9910	0.078	2	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>,2|H<1>}	H(CC[5]CO)	109.3430	0.000	1	108.3688	4.094	5	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	H(CC[5]CO)	108.3400	0.000	1	108.3688	4.094	5	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>}	H(CC[5]CO)	108.0537	2.750	3	108.3688	4.094	5	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	H(CC[5]CO)	109.0070	0.000	1	109.0070	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){1|C<3>}	H(CC[5]CO)	108.8200	0.000	1	108.8200	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	H(CC[5]CO)	109.5770	0.302	4	109.5770	0.091	4	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OPt)(H)	C[5](C[5]C[5]PtO)(O[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OPt)(H)	C[5](C[5]C[5]PtO)(O[5]C[5])(CCHO)(H){1|O<1>,1|O<2>}	H(CC[5]CO)	109.6250	0.000	1	109.6250	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OS)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OS)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	H(CC[5]CO)	108.6150	0.000	1	108.6150	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHS)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHS)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	H(CC[5]CO)	108.9600	0.000	1	108.9600	0.000	1	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	H(CC[5]CO)	108.2673	0.444	3	108.2673	0.197	3	108.5473	1.732	122	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:Se[5]-2:C-4:H-1:	C-4:	C(C[5]Se[5]C[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HO)(Se[5]C[5])(CCHO)(H)	H(CC[5]CO)	C(C[5]Se[5]C[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HO)(Se[5]C[5])(CCHO)(H){1|O<1>,3|H<1>}	H(CC[5]CO)	107.8380	0.000	1	107.8380	0.000	1	107.8380	0.000	1	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C-4:S-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(SC)(H)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHS)(H)	H(CC[5]CS)	C(C[5]C[5]O[5]H)(CCHH)(SC)(H)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHS)(H){2|C<3>}	H(CC[5]CS)	107.7280	0.000	1	107.7280	0.000	1	107.7280	0.000	1	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]2O)	108.0517	1.794	3	108.0517	3.220	3	108.0517	3.220	3	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	H(CC[5]2O)	109.2907	1.151	3	109.2907	1.324	3	108.5426	0.778	19	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	H(CC[5]2O)	108.9500	0.000	1	108.9500	0.000	1	108.5426	0.778	19	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	H(CC[5]2O)	107.3590	0.000	1	107.3590	0.000	1	108.5426	0.778	19	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]2O)	108.7180	0.000	1	108.7180	0.000	1	108.5426	0.778	19	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	H(CC[5]2O)	108.3420	0.000	1	108.3420	0.000	1	108.5426	0.778	19	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	H(CC[5]2O)	108.3930	0.132	2	108.3930	0.017	2	108.5426	0.778	19	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[5]C[5]2H)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]O[5]H)(C[5]C[5]2H)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	H(CC[5]2O)	109.1230	0.000	1	109.1230	0.000	1	108.5426	0.778	19	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[5]N[5]S[5]H)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]O[5]H)(C[5]N[5]S[5]H)(OC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	H(CC[5]2O)	108.9300	0.000	1	108.9300	0.000	1	108.5426	0.778	19	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)2(OC[5])(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]O[5]H)2(OC[5])(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){1|O<1>}	H(CC[5]2O)	108.4655	0.016	2	108.4655	0.000	2	108.5426	0.778	19	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)2(OH)(H)	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]O[5]H)2(OH)(H)	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HO)(H){1|H<1>,2|C<4>}	H(CC[5]2O)	109.7930	0.000	1	109.7930	0.000	1	108.5426	0.778	19	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)2(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]O[5]H)2(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	H(CC[5]2O)	108.1403	1.296	3	108.1403	1.679	3	108.5426	0.778	19	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)2(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]O[5]H)2(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	H(CC[5]2O)	107.5420	0.245	2	107.5420	0.060	2	108.5426	0.778	19	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[6]-4:O-2:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(C[6]C[6a]S[6]2)(OC)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[6]HO)(H)	H(CC[5]C[6]O)	C(C[5]C[5,5]O[5]H)(C[6]C[6a]S[6]2)(OC)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	H(CC[5]C[6]O)	108.6070	0.000	1	108.6070	0.000	1	108.6070	0.000	1	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6]C[6]N[6]H)(OSi)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H)	H(CC[5]C[6]O)	C(C[5]C[5]O[5]H)(C[6]C[6]N[6]H)(OSi)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H){2|C<4>}	H(CC[5]C[6]O)	108.5050	0.093	2	108.5050	0.009	2	108.2170	0.253	3	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:1:	4:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H)	H(CC[5]C[6]O)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H){2|C<4>}	H(CC[5]C[6]O)	107.6410	0.000	1	107.6410	0.000	1	108.2170	0.253	3	108.5721	1.456	169	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH)	H(CC[5]2O)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH){1|C<4>,3|H<1>}	H(CC[5]2O)	108.9253	0.213	4	108.9253	0.045	4	108.8258	0.083	5	108.8258	0.083	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH)	H(CC[5]2O)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH){1|C<4>,3|H<1>}	H(CC[5]2O)	108.4280	0.000	1	108.4280	0.000	1	108.8258	0.083	5	108.8258	0.083	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:3:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5,6]O[5]C)(CH3)(OH)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCHO)(CCH)	H(CC[5]CO)	C(C[5]C[5,6]O[5]C)(CH3)(OH)(H)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCHO)(CCH){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(CC[5]CO)	108.9760	0.000	1	108.9760	0.000	1	108.9760	0.000	1	108.9760	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CC3)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)(CCHO)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CC3)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)(CCHO){1|O<1>,2|C<4>}	H(CC[5]CO)	107.2095	0.213	2	107.2095	0.045	2	108.6364	1.117	11	108.3733	0.773	26	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CO)	108.9880	0.000	1	108.9880	0.000	1	108.6364	1.117	11	108.3733	0.773	26	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHO)(CH3)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]CO)	107.6270	0.000	1	107.6270	0.000	1	108.6364	1.117	11	108.3733	0.773	26	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(CH3)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(CH3){1|C<4>,1|O<1>}	H(CC[5]CO)	109.5410	0.000	1	109.5410	0.000	1	108.6364	1.117	11	108.3733	0.773	26	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,3|H<1>}	H(CC[5]CO)	108.7250	0.000	1	108.7250	0.000	1	108.6364	1.117	11	108.3733	0.773	26	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CC[5,6]HO)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCO)(CCHO)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CC[5,6]HO)(OC)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCO)(CCHO){1|O<1>,2|H<1>}	H(CC[5]CO)	109.8047	0.399	3	109.8047	0.159	3	108.6364	1.117	11	108.3733	0.773	26	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CC[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CC[5]HH)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<3>,3|H<1>}	H(CC[5]CO)	108.4500	0.000	1	108.4500	0.000	1	108.6364	1.117	11	108.3733	0.773	26	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	H(CC[5]CO)	C(C[5]C[5]O[5]C)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]CO)	107.8360	0.000	1	107.8360	0.000	1	108.6364	1.117	11	108.3733	0.773	26	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CC[5]HO)(CH3)	H(CC[5]2O)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CC[5]HO)(CH3){3|H<1>,4|C<4>}	H(CC[5]2O)	108.2550	0.000	1	108.2550	0.000	1	107.6870	0.394	5	108.3733	0.773	26	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3)	H(CC[5]2O)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CC[5]2O)	107.9350	0.697	2	107.5450	0.391	4	107.6870	0.394	5	108.3733	0.773	26	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3)	H(CC[5]2O)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(CC[5]2O)	107.1550	0.283	2	107.5450	0.391	4	107.6870	0.394	5	108.3733	0.773	26	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5])(CC[5]HO)(CH3)	H(CC[5]2O)	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5])(CC[5]HO)(CH3){1|C<4>}	H(CC[5]2O)	108.3692	0.812	6	108.3692	0.659	6	108.3692	0.659	6	108.3733	0.773	26	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HO)(CH3)	H(CC[5]2O)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HO)(CH3){1|C<4>,3|H<1>}	H(CC[5]2O)	108.7410	0.000	1	108.7410	0.000	1	108.5143	0.026	4	108.3733	0.773	26	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(CHHO)	H(CC[5]2O)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(CHHO){2|C<4>}	H(CC[5]2O)	108.4340	0.000	1	108.4340	0.000	1	108.5143	0.026	4	108.3733	0.773	26	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:2:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(CHHO)	H(CC[5]2O)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(CHHO){2|C<4>}	H(CC[5]2O)	108.4410	0.100	2	108.4410	0.010	2	108.5143	0.026	4	108.3733	0.773	26	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:2:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[5]2O[5])(CCHH)(OC)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHO)	H(CC[5]CO)	C(C[5]C[5]2O[5])(CCHH)(OC)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHO){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(CC[5]CO)	115.0830	0.000	1	115.0830	0.000	1	115.0830	0.000	1	115.0830	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[3]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[3]HO)(H)	H(CC[3]C[5]O)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[3]HO)(H){1|O<1>}	H(CC[3]C[5]O)	110.1360	0.235	2	110.1360	0.055	2	110.1360	0.055	2	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:N-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(NN)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]N[5]H)(CCHH)(NN)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHN)(H){1|O<1>}	H(CC[5]CN)	108.8865	0.886	4	108.8865	0.784	4	108.8865	0.784	4	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(OC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5]C[5]H)(CCHH)(OC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHO)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CO)	108.6715	0.181	4	108.6715	0.033	4	108.4256	0.327	5	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5]C[5]H)(CCHH)(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHO)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CO)	107.4420	0.000	1	107.4420	0.000	1	108.4256	0.327	5	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:N[5,6]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5,6]H)(CH3)(OC)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5]N[5,6]H)(CH3)(OC)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[5]CO)	109.5800	0.000	1	109.5800	0.000	1	109.5800	0.000	1	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CCHH)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5]N[5]H)(CCHH)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(CC[5]CO)	109.2450	0.000	1	109.2450	0.000	1	108.3154	0.342	7	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CCHO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5]N[5]H)(CCHO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	H(CC[5]CO)	107.9505	0.342	4	107.9505	0.117	4	108.3154	0.342	7	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CH3)(OH)(H)	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]H)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5]N[5]H)(CH3)(OH)(H)	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]H)(CCHO)(H){1|C<3>,1|O<1>,2|C<4>}	H(CC[5]CO)	108.8670	0.000	1	108.8670	0.000	1	108.3154	0.342	7	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CHHO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5]N[5]H)(CHHO)(OH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	H(CC[5]CO)	108.2940	0.000	1	108.2940	0.000	1	108.3154	0.342	7	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H){2|C<4>,5|H<1>}	H(CC[5]CO)	109.8530	0.000	1	109.8530	0.000	1	109.0836	0.471	5	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]CO)	108.9917	0.715	3	108.9917	0.512	3	109.0836	0.471	5	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHO)(H){3|C<4>,4|H<1>}	H(CC[5]CO)	108.5900	0.000	1	108.5900	0.000	1	109.0836	0.471	5	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCCH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHO)(H){4|H<1>}	H(CC[5]CO)	106.6950	0.000	1	106.6950	0.000	1	108.4805	2.566	24	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCCH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H){2|H<1>}	H(CC[5]CO)	108.1475	0.099	4	108.1475	0.010	4	108.4805	2.566	24	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CO)	112.0590	0.000	1	112.8245	1.172	2	108.4805	2.566	24	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CO)	113.5900	0.000	1	112.8245	1.172	2	108.4805	2.566	24	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	H(CC[5]CO)	107.8525	0.008	2	107.8525	0.000	2	108.4805	2.566	24	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO)(H){2|C<3>,2|H<1>}	H(CC[5]CO)	108.0210	0.000	1	108.0210	0.000	1	108.4805	2.566	24	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHO)(OC)(H)	C[5](C[5]C[6a]S[5]C)(C[5]C[5]N)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHO)(OC)(H)	C[5](C[5]C[6a]S[5]C)(C[5]C[5]N)(CCHO)(H){1|N<3>,2|C<3>}	H(CC[5]CO)	107.8940	2.476	2	107.8940	6.132	2	108.4805	2.566	24	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHO)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHO)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	H(CC[5]CO)	107.7320	0.221	2	107.7320	0.049	2	108.4805	2.566	24	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	H(CC[5]CO)	107.7110	0.000	1	107.7110	0.000	1	108.4805	2.566	24	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CC[6]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H){1|C<4>,2|H<1>}	H(CC[5]CO)	108.7010	0.000	1	108.7010	0.000	1	108.4805	2.566	24	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CC[6a]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H){1|C<4>,2|H<1>}	H(CC[5]CO)	106.6260	0.000	1	106.6260	0.000	1	108.4805	2.566	24	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(H){2|C<4>}	H(CC[5]CO)	108.0850	0.000	1	108.0850	0.000	1	108.4805	2.566	24	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H){1|C<3>}	H(CC[5]CO)	107.2880	0.000	1	107.2880	0.000	1	108.4805	2.566	24	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H){1|C<4>,2|H<1>}	H(CC[5]CO)	108.7370	0.000	1	108.7370	0.000	1	108.4805	2.566	24	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHN)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CHHN)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(H){1|C<4>,2|H<1>}	H(CC[5]CO)	108.9690	0.035	2	108.9690	0.001	2	108.4805	2.566	24	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(OC)(H)	C[5](C[5]C[5]FF)(C[5]C[5]H)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CHHO)(OC)(H)	C[5](C[5]C[5]FF)(C[5]C[5]H)(CCHO)(H){1|O<2>,2|H<1>}	H(CC[5]CO)	109.3200	0.000	1	109.3200	0.000	1	108.4805	2.566	24	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H){1|C<4>,2|H<1>}	H(CC[5]CO)	109.2140	0.000	1	109.2140	0.000	1	108.4805	2.566	24	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(OC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCCH)(OC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H){4|H<1>}	H(CC[5]CO)	108.9750	0.000	1	108.9750	0.000	1	108.4273	0.440	20	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H){1|C<4>,3|H<1>}	H(CC[5]CO)	109.2250	0.000	1	109.2250	0.000	1	108.4273	0.440	20	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCFF)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCFF)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H){4|H<1>}	H(CC[5]CO)	108.0730	0.000	1	108.0730	0.000	1	108.4273	0.440	20	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|C<4>,3|H<1>}	H(CC[5]CO)	106.7830	0.000	1	106.7830	0.000	1	108.4273	0.440	20	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){2|C<4>}	H(CC[5]CO)	108.5980	0.000	1	108.5980	0.000	1	108.4273	0.440	20	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(OSi)(H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCHH)(OSi)(H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H){1|O<1>}	H(CC[5]CO)	108.4390	0.000	1	108.4390	0.000	1	108.4273	0.440	20	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHO)(OC)(H)	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CCHO)(OC)(H)	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHO)(H){1|C<4>,1|H<1>}	H(CC[5]CO)	107.8005	0.586	2	107.8005	0.344	2	108.4273	0.440	20	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H){2|C<3>,2|H<1>}	H(CC[5]CO)	109.0080	0.000	1	109.0080	0.000	1	108.4273	0.440	20	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|O<1>,2|H<1>}	H(CC[5]CO)	108.3420	0.000	1	108.3420	0.000	1	108.4273	0.440	20	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHO)(H){1|C<4>,1|O<1>}	H(CC[5]CO)	108.5200	0.000	1	108.5200	0.000	1	108.4273	0.440	20	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHI)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CHHI)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHO)(H){1|O<1>,2|H<1>}	H(CC[5]CO)	107.8850	0.045	2	107.8850	0.002	2	108.4273	0.440	20	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHN)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CHHN)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H){1|O<1>,2|H<1>}	H(CC[5]CO)	108.4405	0.911	2	108.4405	0.831	2	108.4273	0.440	20	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|O<2>,3|H<1>}	H(CC[5]CO)	109.5570	0.000	1	109.5570	0.000	1	108.4273	0.440	20	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]H)(CCHO)(H){1|O<1>}	H(CC[5]CO)	108.9550	0.000	1	108.9550	0.000	1	108.4273	0.440	20	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H){2|C<4>}	H(CC[5]CO)	108.6930	0.000	1	108.6930	0.000	1	108.4273	0.440	20	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]N[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){1|O<1>}	H(CC[5]CO)	108.5630	0.088	2	108.5630	0.008	2	108.4273	0.440	20	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C-4:S-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(SC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHS)(H)	H(CC[5]CS)	C(C[5]C[5]N[5]H)(CH3)(SC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHS)(H){4|H<1>}	H(CC[5]CS)	107.9100	0.000	1	107.9100	0.000	1	107.9100	0.000	1	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	H(CC[5]2O)	109.2050	0.000	1	109.2050	0.000	1	108.8835	0.094	6	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	H(CC[5]2O)	108.9230	0.208	4	108.9230	0.043	4	108.8835	0.094	6	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	H(CC[5]2O)	108.4040	0.000	1	108.4040	0.000	1	108.8835	0.094	6	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H){1|C<3>,1|H<1>}	H(CC[5]2O)	107.0550	0.000	1	108.1616	0.831	7	108.1355	0.676	10	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H){2|C<4>}	H(CC[5]2O)	108.3460	0.844	6	108.1616	0.831	7	108.1355	0.676	10	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OC)(H)	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H){1|C<4>,1|H<1>}	H(CC[5]2O)	108.8610	0.000	1	108.8610	0.000	1	108.1355	0.676	10	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H){1|C<4>,1|H<1>}	H(CC[5]2O)	107.4030	0.000	1	107.4030	0.000	1	108.1355	0.676	10	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H){2|C<4>}	H(CC[5]2O)	107.9600	0.000	1	107.9600	0.000	1	108.1355	0.676	10	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H)	H(CC[5]C[6]O)	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H){1|O<2>,3|H<1>}	H(CC[5]C[6]O)	105.9300	0.000	1	106.2172	0.566	5	106.3743	0.513	7	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H)	H(CC[5]C[6]O)	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H){4|H<1>}	H(CC[5]C[6]O)	106.2890	0.849	4	106.2172	0.566	5	106.3743	0.513	7	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]HO)(H)	H(CC[5]C[6]O)	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]HO)(H){4|H<1>}	H(CC[5]C[6]O)	106.7670	0.621	2	106.7670	0.385	2	106.3743	0.513	7	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:1:	4:	C[5]-4:P-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(PC[6a]2O)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHOP)(H)	H(CC[5]OP)	C(C[5]C[5]N[5]H)(PC[6a]2O)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHOP)(H){4|H<1>}	H(CC[5]OP)	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	108.3732	1.376	93	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(CH3)(OH)(H)	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(CCHO)(OH)	H(CC[5]CO)	C(C[5]C[5,5]C[5]O)(CH3)(OH)(H)	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(CCHO)(OH){1|O<2>,3|C<4>}	H(CC[5]CO)	108.3470	0.000	1	108.3470	0.000	1	108.3470	0.000	1	108.2593	0.230	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C-4:	C(C[5]C[5]2C)(CCHH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(CN)	H(CC[5]CO)	C(C[5]C[5]2C)(CCHH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(CN){4|H<1>}	H(CC[5]CO)	107.7150	0.000	1	107.7150	0.000	1	107.7150	0.000	1	108.2593	0.230	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCHH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHO)(OH)	H(CC[5]CO)	C(C[5]C[5]2O)(CCHH)(OH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHO)(OH){2|H<1>}	H(CC[5]CO)	107.9430	0.112	2	107.9430	0.012	2	108.1827	0.179	3	108.2593	0.230	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CH3)(OC)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(OH)	H(CC[5]CO)	C(C[5]C[5]2O)(CH3)(OC)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(OH){2|C<4>}	H(CC[5]CO)	108.6620	0.000	1	108.6620	0.000	1	108.1827	0.179	3	108.2593	0.230	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]N[5]O)(CH3)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(OC)	H(CC[5]CO)	C(C[5]C[5]N[5]O)(CH3)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(OC){1|O<1>,2|H<1>}	H(CC[5]CO)	108.9460	0.000	1	108.9460	0.000	1	108.9460	0.000	1	108.2593	0.230	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:3:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(COO)	H(CC[5]CO)	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(COO){1|O<1>,2|H<1>}	H(CC[5]CO)	108.1210	0.000	2	108.1210	0.000	2	108.1210	0.000	2	106.9067	4.424	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5]HO)(COO)	H(CC[5]2O)	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5]HO)(COO){1|C<3>,3|H<1>}	H(CC[5]2O)	104.4780	0.000	1	104.4780	0.000	1	104.4780	0.000	1	106.9067	4.424	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCHO)	H(CC[5]CO)	C(C[5]C[5]N[5]C)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCHO){1|C<2>,3|H<1>}	H(CC[5]CO)	107.0980	0.000	1	107.0980	0.000	1	107.0980	0.000	1	108.1191	0.595	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	H(CC[5]2O)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	H(CC[5]2O)	108.3623	0.149	3	108.1665	0.168	4	108.0576	0.185	5	108.1191	0.595	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	H(CC[5]2O)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){4|H<1>}	H(CC[5]2O)	107.5790	0.000	1	108.1665	0.168	4	108.0576	0.185	5	108.1191	0.595	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	H(CC[5]2O)	C(C[5]C[5]2C)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	H(CC[5]2O)	107.6220	0.000	1	107.6220	0.000	1	108.0576	0.185	5	108.1191	0.595	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:3:4:4:	4:	C[6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:C-4:	C-4:	C(C[6]C[4,6]C[6]H)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]HO)(CCCO)	H(CC[5]C[6]O)	C(C[6]C[4,6]C[6]H)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]HO)(CCCO){1|C<4>,1|H<1>,1|O<2>}	H(CC[5]C[6]O)	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	108.1191	0.595	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:2:4:	4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C-4:O[5]-2:C-4:	C-4:	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(OH)(H)	C[5](C[5]C[5]CH)(CC[5,5]HO)(O[5]C[5])(CCHH)	H(CC[5,5]C[5]O)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(OH)(H)	C[5](C[5]C[5]CH)(CC[5,5]HO)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,1|O<2>}	H(CC[5,5]C[5]O)	107.6793	0.078	3	107.6793	0.006	3	107.6793	0.006	3	108.6902	1.995	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:2:4:	4:	C[5]-4:C-4:O-2:H-1:	C[3]-4:C[5]-4:O[5]-2:C-4:	C-4:	C(C[5]C[3]C[5]O[5])(CC[5,6]HO)(OC)(H)	C[5](C[3]C[3]O[3]C)(C[5]C[5]CH)(O[5]C[5])(CCHO)	H(CC[5]CO)	C(C[5]C[3]C[5]O[5])(CC[5,6]HO)(OC)(H)	C[5](C[3]C[3]O[3]C)(C[5]C[5]CH)(O[5]C[5])(CCHO){1|O<1>,4|H<1>}	H(CC[5]CO)	110.2065	0.551	2	110.2065	0.303	2	110.2065	0.303	2	108.6902	1.995	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-1:	C-4:	C(CC[5,6,6]HH)(C[5]C[5]2O)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(O)	H(CC[5]CO)	C(CC[5,6,6]HH)(C[5]C[5]2O)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(O){2|H<1>,2|O<2>}	H(CC[5]CO)	107.2960	0.000	1	107.2960	0.000	1	107.2960	0.000	1	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[3]C[3]O[3]C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[3]HO)(H)	H(CC[3]C[5]O)	C(C[3]C[3]O[3]C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[3]HO)(H){1|C<4>,3|H<1>}	H(CC[3]C[5]O)	109.1030	0.000	1	109.1030	0.000	1	109.1030	0.000	1	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H)	H(CC[5,6]C[5]O)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5,6]C[5]O)	109.8700	0.000	1	109.5170	0.115	5	109.5170	0.115	5	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H)	H(CC[5,6]C[5]O)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[5,6]HO)(H){1|C<4>,3|H<1>}	H(CC[5,6]C[5]O)	109.4288	0.318	4	109.5170	0.115	5	109.5170	0.115	5	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:C-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(CC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)(CC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCCH)(H){1|O<1>}	H(CC[5]CC)	107.6375	0.331	4	107.6375	0.109	4	107.6914	0.097	5	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:C-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(CN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)(CN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CCCH)(H){1|O<1>,2|H<1>}	H(CC[5]CC)	107.9070	0.000	1	107.9070	0.000	1	107.6914	0.097	5	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:N-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CHHO)(NN)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5,5]C[5]H)(CHHO)(NN)(H)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CCHN)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5]CN)	109.4390	0.000	1	109.4390	0.000	1	109.4390	0.000	1	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(CCHH)(OH)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5,6]C[5]H)(CCHH)(OH)(H)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]C[5]O[5]H)(CCHO)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(CC[5]CO)	107.4780	0.000	1	107.4780	0.000	1	107.4780	0.000	1	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCCO)(OC)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HO)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5]C[5]H)(CCCO)(OC)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HO)(CCHO)(H){1|O<1>,3|C<4>,3|H<1>}	H(CC[5]CO)	109.6725	0.401	2	109.6725	0.161	2	109.2980	0.924	4	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CC[5]HH)(OH)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(OH)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]CO)	109.9360	0.000	1	109.9360	0.000	1	109.2980	0.924	4	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CH3)(OC)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HN)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,5]C[5]H)(CH3)(OC)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HN)(CCHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(CC[5]CO)	107.9110	0.000	1	107.9110	0.000	1	109.2980	0.924	4	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(OH)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5,6]HH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(CCHH)(OH)(H)	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]C[5,6]HH)(CCHO)(H){2|H<1>,2|O<2>,3|C<4>}	H(CC[5]CO)	106.6180	0.000	1	106.6180	0.000	1	108.8047	1.038	10	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){1|F<1>,2|C<4>,4|H<1>}	H(CC[5]CO)	109.5110	0.169	4	109.4443	0.034	6	108.8047	1.038	10	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){2|C<4>,5|H<1>}	H(CC[5]CO)	109.3110	0.178	2	109.4443	0.034	6	108.8047	1.038	10	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5]CO)	107.8050	0.000	1	107.8050	0.000	1	108.8047	1.038	10	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]CO)	109.0810	0.000	1	109.0810	0.000	1	108.8047	1.038	10	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHO)(H){2|C<4>,5|H<1>}	H(CC[5]CO)	107.8770	0.000	1	107.8770	0.000	1	108.8047	1.038	10	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC3)(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CC3)(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	H(CC[5]CO)	108.3900	0.000	1	108.3900	0.000	1	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCCH)(OH)(H)	C[5](C[5]C[5]HH)2(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C[5](C[5]C[5]HH)2(CCHO)(H){1|C<4>,3|H<1>}	H(CC[5]CO)	106.5200	0.000	1	106.5200	0.000	1	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CO)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CO)(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]CO)	107.5625	0.361	2	107.5625	0.131	2	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CO)	110.5990	0.314	3	110.5990	0.099	3	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[6]O[5]H)(C[5]C[5]HH)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CO)	109.6470	0.000	1	109.6470	0.000	1	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HN)(CCHO)(H){1|C<4>,1|N<3>,2|H<1>}	H(CC[5]CO)	109.1610	0.000	1	109.1610	0.000	1	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CO)	108.2790	0.000	1	108.2650	0.000	2	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CO)	108.2510	0.000	1	108.2650	0.000	2	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CO)	109.2720	0.000	1	109.2720	0.000	1	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(OSi)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHH)(OSi)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(CCHO)(H){1|O<1>,2|C<3>}	H(CC[5]CO)	108.7970	0.000	1	108.7970	0.000	1	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CCHO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CCHO)(H){1|O<1>}	H(CC[5]CO)	108.8670	0.057	2	108.8670	0.003	2	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CO)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]CO)(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]CO)	106.4150	0.000	1	106.4150	0.000	1	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HO)(OH)(H)	C[5](C[5]C[5]HH)2(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CC[5]HO)(OH)(H)	C[5](C[5]C[5]HH)2(CCHO)(H){4|H<1>}	H(CC[5]CO)	107.6520	0.980	2	107.6520	0.960	2	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]CH)(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CC[6a]CH)(OSi)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<3>,3|H<1>}	H(CC[5]CO)	108.5600	0.066	2	108.5600	0.004	2	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(OC)(H)	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OC)(H)	C[5](C[5]C[5,5a]CO)(C[5]N[5,5a]CH)(CCHO)(H){2|C<3>}	H(CC[5]CO)	108.9420	0.000	1	108.9420	0.000	1	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(OC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCHO)(H){1|S<4>,2|H<1>}	H(CC[5]CO)	108.8275	0.377	2	108.8275	0.142	2	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCHO)(H){1|O<1>}	H(CC[5]CO)	109.0470	0.000	1	109.0470	0.000	1	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(OC)(H)	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OC)(H)	C[5](C[5]C[5]CN)(C[5]N[5]CH)(CCHO)(H){1|C<3>,2|H<1>}	H(CC[5]CO)	109.3810	0.000	1	109.3810	0.000	1	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){1|C<4>,3|H<1>}	H(CC[5]CO)	109.5670	0.000	1	109.5670	0.000	1	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5,5a]HH)(C[5]N[5,5a]HH)(CCHO)(H){1|C<3>,1|N<2>}	H(CC[5]CO)	108.8950	0.000	1	108.8950	0.000	1	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5]CN)(C[5]C[5]HH)(CCHO)(H){4|H<1>}	H(CC[5]CO)	108.4960	0.000	1	108.4960	0.000	1	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]ReH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5a]O[5]H)(C[5]C[5]ReH)(CCHO)(H){1|C<3>,1|C<4>,1|O<2>}	H(CC[5]CO)	109.0400	0.000	1	109.0400	0.000	1	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(OSi)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CH3)(OSi)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]CO)	108.2190	0.000	1	108.2190	0.000	1	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(H){2|H<1>}	H(CC[5]CO)	108.7340	0.000	1	108.7340	0.000	1	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]2H)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCHO)(H){1|C<4>,1|O<1>}	H(CC[5]CO)	109.1440	0.000	1	109.1440	0.000	1	108.7166	1.002	32	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C-4:S-2:H-1:	C[5]-4:N[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(SC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHS)(H)	H(CC[5]CS)	C(C[5]C[5]N[5]H)(CCHH)(SC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]CH)(CCHS)(H){4|H<1>}	H(CC[5]CS)	108.5280	0.000	1	108.5280	0.000	1	108.5280	0.000	1	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HO)(H){1|O<1>}	H(CC[5]2O)	108.0115	0.384	6	108.0115	0.148	6	108.1411	0.256	9	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]2C)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5]HO)(H){1|O<1>}	H(CC[5]2O)	107.5820	0.000	1	107.5820	0.000	1	108.1411	0.256	9	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)2(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]2H)2(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]HO)(H){4|H<1>}	H(CC[5]2O)	108.8010	0.000	1	108.8010	0.000	1	108.1411	0.256	9	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)2(OH)(H)	C[5](C[5]C[5]HH)2(CC[5]HO)(H)	H(CC[5]2O)	C(C[5]C[5]2H)2(OH)(H)	C[5](C[5]C[5]HH)2(CC[5]HO)(H){4|H<1>}	H(CC[5]2O)	108.8180	0.000	1	108.8180	0.000	1	108.1411	0.256	9	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]HO)(H)	H(CC[5]C[6]O)	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6]HO)(H){1|C<4>,3|H<1>}	H(CC[5]C[6]O)	109.3530	0.000	1	109.3530	0.000	1	109.3530	0.000	1	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6]C[3,6]C[5,6]H)(C[5]C[5]2H)(OO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]HO)(H)	H(CC[5]C[6]O)	C(C[6]C[3,6]C[5,6]H)(C[5]C[5]2H)(OO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]C[6]O)	107.5940	0.000	1	107.5940	0.000	1	106.5155	2.326	2	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:1:	4:	C[6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HO)(H)	H(CC[5]C[6]O)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]HO)(H){1|O<1>,2|C<4>}	H(CC[5]C[6]O)	105.4370	0.000	1	105.4370	0.000	1	106.5155	2.326	2	108.5988	1.036	73	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(CC[5,6,6]HH)(C[5]C[5]2O)(OC)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH)	H(CC[5]CO)	C(CC[5,6,6]HH)(C[5]C[5]2O)(OC)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH){1|O<2>,2|H<1>}	H(CC[5]CO)	109.7060	0.000	1	109.7060	0.000	1	109.7060	0.000	1	108.1736	0.796	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(CC[6a]HH)(OC)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CCHO)(OH)	H(CC[5]CO)	C(C[5]C[5,5]C[5]O)(CC[6a]HH)(OC)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)(CCHO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[5]CO)	106.5315	0.514	2	106.5315	0.264	2	106.5315	0.264	2	108.1736	0.796	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(OH)	H(CC[5]CO)	C(C[5]C[5,6]C[5]O)(CH3)(OH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHO)(OH){2|C<4>,2|O<2>,3|H<1>}	H(CC[5]CO)	107.6770	0.000	1	107.6770	0.000	1	108.1557	0.264	4	108.1736	0.796	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(CHHO)(OH)(H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(CCHO)(OH)	H(CC[5]CO)	C(C[5]C[5,6]C[5]O)(CHHO)(OH)(H)	C[5](C[5,6]C[5a,6]N[5,6]H)(C[5]C[5]HH)(CCHO)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(CC[5]CO)	108.3153	0.494	3	108.3153	0.244	3	108.1557	0.264	4	108.1736	0.796	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCCH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OC)	H(CC[5]CO)	C(C[5]C[5]2O)(CCCH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OC){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CO)	108.2024	1.019	7	108.2024	1.039	7	108.2966	0.733	34	108.1736	0.796	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCCH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OH)	H(CC[5]CO)	C(C[5]C[5]2O)(CCCH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHO)(OH){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CO)	107.8760	0.093	2	107.8760	0.009	2	108.2966	0.733	34	108.1736	0.796	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCHH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHO)(OH)	H(CC[5]CO)	C(C[5]C[5]2O)(CCHH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CCHO)(OH){1|H<1>,1|O<1>}	H(CC[5]CO)	107.6960	0.000	1	107.6960	0.000	1	108.2966	0.733	34	108.1736	0.796	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CC[3x5]HH)(OH)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]CC)(CCHO)(OH)	H(CC[5]CO)	C(C[5]C[5]2O)(CC[3x5]HH)(OH)(H)	C[5](C[5]C[3,5]C[5]H)(C[5]C[3,5]CC)(CCHO)(OH){2|C<4>,2|H<1>,2|O<2>}	H(CC[5]CO)	107.3550	0.016	2	107.3550	0.000	2	108.2966	0.733	34	108.1736	0.796	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH)	H(CC[5]CO)	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH){1|O<2>,2|H<1>}	H(CC[5]CO)	109.1200	0.188	3	109.1200	0.035	3	108.2966	0.733	34	108.1736	0.796	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OC)	H(CC[5]CO)	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OC){1|O<1>,2|H<1>}	H(CC[5]CO)	109.2660	0.000	1	109.2660	0.000	1	108.2966	0.733	34	108.1736	0.796	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH)	H(CC[5]CO)	C(C[5]C[5]2O)(CC[5,6]HH)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH){2|H<1>,2|O<2>}	H(CC[5]CO)	107.6120	0.000	1	107.6120	0.000	1	108.2966	0.733	34	108.1736	0.796	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CC[5,6]HH)(OH)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH)	H(CC[5]CO)	C(C[5]C[5]2O)(CC[5,6]HH)(OH)(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]CH)(CCHO)(OH){1|O<2>,2|H<1>}	H(CC[5]CO)	108.6478	0.710	6	108.6478	0.504	6	108.2966	0.733	34	108.1736	0.796	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CC[5,6]HH)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH)	H(CC[5]CO)	C(C[5]C[5]2O)(CC[5,6]HH)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH){1|O<2>,3|H<1>}	H(CC[5]CO)	108.0182	0.965	8	108.2169	0.856	11	108.2966	0.733	34	108.1736	0.796	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CC[5,6]HH)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH)	H(CC[5]CO)	C(C[5]C[5]2O)(CC[5,6]HH)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(OH){2|H<1>,2|O<2>}	H(CC[5]CO)	108.7467	0.664	3	108.2169	0.856	11	108.2966	0.733	34	108.1736	0.796	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC)	H(CC[5]2O)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC){1|C<4>,1|H<1>,2|O<2>}	H(CC[5]2O)	108.3930	0.000	1	107.5800	0.303	4	107.7018	0.302	5	108.1736	0.796	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC)	H(CC[5]2O)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OC){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]2O)	107.3090	0.119	3	107.5800	0.303	4	107.7018	0.302	5	108.1736	0.796	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OH)	H(CC[5]2O)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]HO)(OH){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]2O)	108.1890	0.000	1	108.1890	0.000	1	107.7018	0.302	5	108.1736	0.796	46	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:3:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(C[5]C[5]2Fe)(OH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[5]HO)(COO)	H(CC[5]2O)	C(C[5]C[5,5]C[5]C)(C[5]C[5]2Fe)(OH)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]HH)(CC[5]HO)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]2O)	108.6920	0.000	1	108.6920	0.000	1	108.6920	0.000	1	108.6920	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[3]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[3]C[3]2H)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[3]HO)(CHHO)	H(CC[3]C[5]O)	C(C[3]C[3]2H)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[3]HO)(CHHO){1|O<2>,3|H<1>}	H(CC[3]C[5]O)	105.9060	0.000	1	105.9060	0.000	1	105.9060	0.000	1	107.4746	1.317	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(CCHH)(OC)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CCHH)(CCHO)	H(CC[5]CO)	C(C[5]C[5,5]C[5]C)(CCHH)(OC)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]HH)(CCHH)(CCHO){2|C<4>,4|H<1>}	H(CC[5]CO)	107.9670	0.000	1	107.9670	0.000	1	107.9460	0.001	2	107.4746	1.317	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,5]C[5]C)(CCHH)(OS)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(CCHO)(CH3)	H(CC[5]CO)	C(C[5]C[5,5]C[5]C)(CCHH)(OS)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]HH)(CCHO)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CC[5]CO)	107.9250	0.000	1	107.9250	0.000	1	107.9460	0.001	2	107.4746	1.317	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:C[5]-4:C-4:	C-4:	C(C[5]C[5,5]C[5]2)(CCHH)(OC)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]O[5]C)(C[5]C[5]HH)(CCHO)	H(CC[5]CO)	C(C[5]C[5,5]C[5]2)(CCHH)(OC)(H)	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]O[5]C)(C[5]C[5]HH)(CCHO){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(CC[5]CO)	106.4120	0.307	2	106.4120	0.094	2	106.4120	0.094	2	107.4746	1.317	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(CH3)	H(CC[5]CO)	C(C[5]C[5]2C)(CCHH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCHO)(CH3){1|C<3>,3|H<1>}	H(CC[5]CO)	106.7070	0.000	1	106.7070	0.000	1	107.5210	1.325	2	107.4746	1.317	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CC[3,5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHO)(CH3)	H(CC[5]CO)	C(C[5]C[5]2C)(CC[3,5]HH)(OH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(CCHO)(CH3){1|O<1>}	H(CC[5]CO)	108.3350	0.000	1	108.3350	0.000	1	107.5210	1.325	2	107.4746	1.317	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(N[5]O[5]CH)(CCHO)(CH3)	H(CC[5]CO)	C(C[5]C[5]N[5]C)(CHHO)(OH)(H)	C[5](C[5]C[5]HH)(N[5]O[5]CH)(CCHO)(CH3){2|H<1>}	H(CC[5]CO)	108.3470	0.000	1	108.3470	0.000	1	108.3470	0.000	1	107.4746	1.317	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:2:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HO)(CH3)	H(CC[5]2O)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CC[5]HO)(CH3){1|O<2>,3|H<1>}	H(CC[5]2O)	109.2600	0.000	1	109.2600	0.000	1	109.2600	0.000	1	107.4746	1.317	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:2:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H){1|C<4>,1|O<1>}	H(CC[5]CN)	108.4010	0.000	1	108.0050	0.314	2	107.6025	0.368	4	107.0522	1.790	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:2:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<1>}	H(CC[5]CN)	107.6090	0.000	1	108.0050	0.314	2	107.6025	0.368	4	107.0522	1.790	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:2:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]FF)(NCH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CC[6a]FF)(NCH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<1>}	H(CC[5]CN)	106.9320	0.000	1	106.9320	0.000	1	107.6025	0.368	4	107.0522	1.790	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:2:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CF3)(NHS)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CF3)(NHS)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<1>}	H(CC[5]CN)	107.4680	0.000	1	107.4680	0.000	1	107.6025	0.368	4	107.0522	1.790	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:2:4:1:	4:	C[5]-4:C[6]-4:N-3:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6a]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H)	H(CC[5]C[6]N)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6a]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H){1|H<1>,1|O<1>}	H(CC[5]C[6]N)	104.8510	0.000	1	104.8510	0.000	1	104.8510	0.000	1	107.0522	1.790	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:2:4:3:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(CCH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCCH)(COO)	H(CC[5]CC)	C(C[5]C[5]O[5]C)(CCHH)(CCH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCCH)(COO){1|C<4>,3|H<1>}	H(CC[5]CC)	104.2670	0.000	1	104.2670	0.000	1	108.1899	1.623	12	108.1899	1.623	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:2:4:3:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C[5](C[5]N[5]O[5])(O[5]B[5])(CCCH)(CCO)	H(CC[5]CC)	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C[5](C[5]N[5]O[5])(O[5]B[5])(CCCH)(CCO){2|C<4>,2|F<1>}	H(CC[5]CC)	108.7245	0.183	4	108.7245	0.033	4	108.1899	1.623	12	108.1899	1.623	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:2:4:3:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C[5](C[5]N[6]O[5])(O[5]B[5])(CCCH)(CCO)	H(CC[5]CC)	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C[5](C[5]N[6]O[5])(O[5]B[5])(CCCH)(CCO){2|C<4>,2|F<1>}	H(CC[5]CC)	108.4413	0.603	3	108.4413	0.364	3	108.1899	1.623	12	108.1899	1.623	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:2:4:3:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C[5](C[5]O[5]N)(O[5]B[5])(CCCH)(CCO)	H(CC[5]CC)	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C[5](C[5]O[5]N)(O[5]B[5])(CCCH)(CCO){2|F<1>}	H(CC[5]CC)	108.4475	0.116	4	108.4475	0.014	4	108.1899	1.623	12	108.1899	1.623	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:2:4:4:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(CH3)	H(CC[5]CC)	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(CH3){1|C<3>,1|O<1>}	H(CC[5]CC)	108.9580	0.000	1	108.9580	0.000	1	108.9580	0.000	1	107.9773	0.840	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:2:4:4:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)(NHS)(H)	C[5](C[5]O[5]O)(N[5]C[5])(CCHN)(CH3)	H(CC[5]CN)	C(C[5]C[5]N[5]C)(CH3)(NHS)(H)	C[5](C[5]O[5]O)(N[5]C[5])(CCHN)(CH3){1|C<3>}	H(CC[5]CN)	107.8310	0.000	1	107.8310	0.000	1	107.8310	0.000	1	107.9773	0.840	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:2:4:4:	4:	C[5]-4:C-4:N-3:H-1:	N[5]-3:S[5]-2:C-4:C-4:	C-4:	C(C[5]N[5]S[5]C)(CC[6a]HH)(NCH)(H)	C[5](N[5]N[5]C)(S[5]C[5])(CCHN)(CH3)	H(CC[5]CN)	C(C[5]N[5]S[5]C)(CC[6a]HH)(NCH)(H)	C[5](N[5]N[5]C)(S[5]C[5])(CCHN)(CH3){1|N<3>}	H(CC[5]CN)	107.1430	0.000	1	107.1430	0.000	1	107.1430	0.000	1	107.9773	0.840	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:2:4:	4:	C[5]-4:C-4:C-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(CCHH)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CCCH)	H(CC[5]CC)	C(C[5]C[6a]C[5]N[5])(CCHH)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CCCH){1|N<3>,2|H<1>,3|C<3>}	H(CC[5]CC)	107.8010	0.212	2	107.8010	0.045	2	107.8010	0.045	2	106.8765	7.351	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:2:4:	4:	C[5]-4:C-4:C-3:H-1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(CH3)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCCH)	H(CC[5]CC)	C(C[5]C[6a]C[5]O[5])(CH3)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCCH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(CC[5]CC)	100.2180	0.000	1	100.2180	0.000	1	100.2180	0.000	1	106.8765	7.351	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:2:4:	4:	C[5]-4:C-4:C-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[6a]N[5]2)(CH3)(COO)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(CCCH)	H(CC[5]CC)	C(C[5]C[6a]N[5]2)(CH3)(COO)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(CCCH){3|C<3>,4|H<1>}	H(CC[5]CC)	108.1205	0.301	2	108.1205	0.090	2	108.1205	0.090	2	106.8765	7.351	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:2:4:	4:	C[5]-4:C-4:N-3:H-1:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]N[5])(CH3)(NCH)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5])(CCHN)	H(CC[5]CN)	C(C[5]C[6a]C[5]N[5])(CH3)(NCH)(H)	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5])(CCHN){2|H<1>,3|C<3>}	H(CC[5]CN)	107.6503	0.438	3	107.6503	0.192	3	107.6503	0.192	3	106.8765	7.351	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:3:4:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]N)(CHHN)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6a]C[5]N)(CHHN)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CC)	108.4230	0.000	1	108.4230	0.000	1	108.4230	0.000	1	106.9850	2.082	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:3:4:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5a]C[5])(CH3)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6a]C[5a]C[5])(CH3)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCCH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(CC[5]CC)	105.2130	0.198	2	105.2130	0.039	2	105.2130	0.039	2	106.9850	2.082	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:3:4:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CCCH){3|H<1>,4|C<3>}	H(CC[5]CC)	107.6230	0.000	1	107.6230	0.000	1	107.6870	0.273	3	106.9850	2.082	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:3:4:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH){1|Br<1>,2|H<1>,4|C<3>}	H(CC[5]CC)	107.7190	0.735	2	107.7190	0.541	2	107.6870	0.273	3	106.9850	2.082	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]2H)(CCHH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6a]2H)(CCHH)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H){2|H<1>,4|C<3>}	H(CC[5]CC)	107.2380	0.000	1	107.2380	0.000	1	107.2380	0.000	1	107.4505	0.341	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(COO)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)(COO)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCCH)(H){1|H<1>,1|O<1>}	H(CC[5]CC)	107.9195	0.538	2	107.9195	0.290	2	107.4537	0.796	3	107.4505	0.341	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CF3)(COO)(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CF3)(COO)(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	H(CC[5]CC)	106.5220	0.000	1	106.5220	0.000	1	107.4537	0.796	3	107.4505	0.341	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[6]-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(C[6]C[6,6a]2H)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H)	H(CC[5]C[6]C)	C(C[5]C[5,6a]C[5]H)(C[6]C[6,6a]2H)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H){1|Cl<1>,3|C<3>}	H(CC[5]C[6]C)	107.7030	0.000	1	107.7030	0.000	1	107.5520	0.046	2	107.4505	0.341	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:4:1:	4:	C[5]-4:C[6]-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H)	H(CC[5]C[6]C)	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]C[6]C)	107.4010	0.000	1	107.4010	0.000	1	107.5520	0.046	2	107.4505	0.341	6	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:4:2:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH)	H(CC[5]CC)	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CC)	107.6290	0.000	1	107.6290	0.000	1	105.0865	8.554	6	105.8574	6.744	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:4:2:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC)	H(CC[5]CC)	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC){1|Br<1>,1|C<4>,2|C<3>}	H(CC[5]CC)	105.0700	0.666	2	104.2557	10.978	4	105.0865	8.554	6	105.8574	6.744	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:4:2:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC)	H(CC[5]CC)	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CC)	103.4415	5.462	2	104.2557	10.978	4	105.0865	8.554	6	105.8574	6.744	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:4:2:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CH3)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH)	H(CC[5]CC)	C(C[5]C[5,6a]C[5]O)(CH3)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CC)	105.8670	0.000	1	105.8670	0.000	1	105.0865	8.554	6	105.8574	6.744	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:4:2:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCHH)(CCO)(H)	C[5](C[5]C[5,6a]O)2(CCCH)(OH)	H(CC[5]CC)	C(C[5]C[5]2O)(CCHH)(CCO)(H)	C[5](C[5]C[5,6a]O)2(CCCH)(OH){2|C<3>}	H(CC[5]CC)	107.9590	0.000	1	107.9590	0.000	1	107.5855	0.279	2	105.8574	6.744	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:4:2:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CH3)(CCO)(H)	C[5](C[5]C[5,6a]O)2(CCCH)(OH)	H(CC[5]CC)	C(C[5]C[5]2O)(CH3)(CCO)(H)	C[5](C[5]C[5,6a]O)2(CCCH)(OH){2|C<3>}	H(CC[5]CC)	107.2120	0.000	1	107.2120	0.000	1	107.5855	0.279	2	105.8574	6.744	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:4:2:	4:	C[5]-4:C-4:N-3:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(NCS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHN)(OC)	H(CC[5]CN)	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(NCS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHN)(OC){1|H<1>,3|C<3>}	H(CC[5]CN)	107.0270	0.000	1	107.0270	0.000	1	107.0270	0.000	1	105.8574	6.744	9	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:4:3:	4:	C[5]-4:C-4:N-3:H-1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]C[5]C)(CCHH)(NOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(CCC)	H(CC[5]CN)	C(C[5]C[5,6a]C[5]C)(CCHH)(NOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(CCC){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CN)	107.6180	0.000	1	107.6180	0.000	1	107.6180	0.000	1	107.5940	0.001	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:4:3:	4:	C[5]-4:C-4:N-3:H-1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C-4:	C(C[5]C[5,6a]C[5]N)(CH3)(NOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH)	H(CC[5]CN)	C(C[5]C[5,6a]C[5]N)(CH3)(NOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CN)	107.5700	0.000	1	107.5700	0.000	1	107.5700	0.000	1	107.5940	0.001	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:4:4:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CC[6a]HH)(CCH)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2C)(CC[6a]HH)(CCH)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<3>}	H(CC[5]CC)	106.9190	0.615	4	106.9190	0.379	4	106.7277	0.366	6	106.9036	0.521	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:4:4:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CF3)(CCH)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3)	H(CC[5]CC)	C(C[5]C[5]2C)(CF3)(CCH)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3){3|C<3>}	H(CC[5]CC)	106.7010	0.000	1	106.7010	0.000	1	106.7277	0.366	6	106.9036	0.521	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:4:4:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CH3)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)(CH3)	H(CC[5]CC)	C(C[5]C[5]2C)(CH3)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]CC)	105.9890	0.000	1	105.9890	0.000	1	106.7277	0.366	6	106.9036	0.521	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:3:4:4:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(NCH)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHN)(CH3)	H(CC[5]CN)	C(C[5]C[5]N[5]C)(CCHH)(NCH)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHN)(CH3){1|H<1>,1|O<1>}	H(CC[5]CN)	107.9590	0.000	1	107.9590	0.000	1	107.9590	0.000	1	106.9036	0.521	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:4:2:4:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-3:C-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(CCCH){1|C<4>}	H(CC[5]CC)	108.2225	0.747	2	108.2225	0.559	2	108.2225	0.559	2	108.2225	0.559	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(CCH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)(CCH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]CC)	107.1180	0.000	1	107.1180	0.000	1	107.8870	0.586	3	107.8870	0.586	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(CNO)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)(CNO)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H){2|C<3>,4|H<1>}	H(CC[5]CC)	108.2715	0.534	2	108.2715	0.285	2	107.8870	0.586	3	107.8870	0.586	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>}	H(CC[5]CC)	107.7345	0.451	8	107.4087	1.134	9	107.8235	0.926	16	107.5265	2.704	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|O<1>,1|S<4>}	H(CC[5]CC)	104.8020	0.000	1	107.4087	1.134	9	107.8235	0.926	16	107.5265	2.704	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	C[5](C[5]O[5]CC)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	C[5](C[5]O[5]CC)(O[5]C[5])(CCCH)(H){1|O<1>}	H(CC[5]CC)	109.1950	0.000	1	109.1950	0.000	1	107.8235	0.926	16	107.5265	2.704	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)(COO)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CH3)(COO)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	H(CC[5]CC)	108.2526	0.326	5	108.2526	0.106	5	107.8235	0.926	16	107.5265	2.704	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(CCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CHHO)(CCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCH)(H){2|C<4>}	H(CC[5]CC)	108.0400	0.000	1	108.0400	0.000	1	107.8235	0.926	16	107.5265	2.704	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(NCH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCCH)(NCH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(CC[5]CN)	105.7960	0.000	1	105.7960	0.000	1	107.1374	4.463	19	107.5265	2.704	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCFF)(NHS)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCFF)(NHS)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(CC[5]CN)	108.3090	0.540	2	108.3090	0.292	2	107.1374	4.463	19	107.5265	2.704	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(NCC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHH)(NCC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(CC[5]CN)	106.1930	1.849	3	106.1930	3.419	3	107.1374	4.463	19	107.5265	2.704	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(NCH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHH)(NCH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H){2|H<1>,2|O<2>}	H(CC[5]CN)	108.5360	0.000	1	108.5360	0.000	1	107.1374	4.463	19	107.5265	2.704	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(NCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHH)(NCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(CC[5]CN)	108.0055	0.515	2	108.0055	0.266	2	107.1374	4.463	19	107.5265	2.704	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHN)(NHS)(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHN)(NHS)(H)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<2>,3|C<4>}	H(CC[5]CN)	107.9570	0.000	1	107.9570	0.000	1	107.1374	4.463	19	107.5265	2.704	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(NCC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHO)(NCC)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(CC[5]CN)	106.7590	0.410	2	106.7590	0.168	2	107.1374	4.463	19	107.5265	2.704	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(NCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHO)(NCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(CC[5]CN)	109.0510	1.535	3	109.0510	2.357	3	107.1374	4.463	19	107.5265	2.704	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]HH)(NCH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CC[6a]HH)(NCH)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHN)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CN)	102.1190	0.000	1	102.1190	0.000	1	107.1374	4.463	19	107.5265	2.704	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(NCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CHHO)(NCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(CC[5]CN)	102.9140	0.000	1	102.9140	0.000	1	107.1374	4.463	19	107.5265	2.704	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHS)(NHS)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CHHS)(NHS)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(CC[5]CN)	108.2050	0.365	2	108.2050	0.133	2	107.1374	4.463	19	107.5265	2.704	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C-4:O-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(OCoC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	H(CC[5]CO)	C(C[5]C[5]O[5]H)(CHHO)(OCoC)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	H(CC[5]CO)	108.9640	0.088	2	108.9640	0.008	2	108.9640	0.008	2	107.5265	2.704	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:C[6]-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6]S[6]2C)(NCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HN)(H)	H(CC[5]C[6]N)	C(C[5]C[5]O[5]H)(C[6]S[6]2C)(NCH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HN)(H){2|H<1>}	H(CC[5]C[6]N)	107.2400	0.000	1	107.2400	0.000	1	107.2400	0.000	1	107.5265	2.704	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:2:4:1:	4:	C[5]-4:S-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(SC[6a]OO)(NCH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CHNS)(H)	H(CC[5]NS)	C(C[5]C[5]O[5]H)(SC[6a]OO)(NCH)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CHNS)(H){2|C<4>}	H(CC[5]NS)	107.5770	0.000	1	107.5770	0.000	1	107.5770	0.000	1	107.5265	2.704	39	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:2:4:4:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCHH)(NHS)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(CH3)	H(CC[5]CN)	C(C[5]C[5]O[5]C)(CCHH)(NHS)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(CH3){1|O<1>}	H(CC[5]CN)	107.8690	0.000	1	107.8690	0.000	1	107.8690	0.000	1	107.8690	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:2:4:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C-4:	C(C[5]C[6a]C[5]O[5])(CH3)(CCH)(H)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(O[5]C[5])(CCCH)	H(CC[5]CC)	C(C[5]C[6a]C[5]O[5])(CH3)(CCH)(H)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(O[5]C[5])(CCCH){1|O<1>,2|H<1>,5|C<3>}	H(CC[5]CC)	103.7260	0.000	1	103.7260	0.000	1	103.7260	0.000	1	103.7260	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(COO)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5]C[5]H)(CCHH)(COO)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CCCH)(H){1|N<3>,2|C<3>,2|H<1>}	H(CC[5]CC)	108.5470	0.000	1	108.5470	0.000	1	108.5470	0.000	1	107.1897	1.035	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCCH)(H){2|C<4>,3|H<1>}	H(CC[5]CC)	108.5050	0.000	1	108.5050	0.000	1	108.5050	0.000	1	107.1897	1.035	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(CH3)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]N[5]H)(CH3)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H){2|C<4>,5|H<1>}	H(CC[5]CC)	106.8420	0.000	1	106.8420	0.000	1	106.8420	0.000	1	107.1897	1.035	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCCH)(CCO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCCH)(CCO)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)(H){2|C<4>,3|C<3>}	H(CC[5]CC)	105.7210	0.000	1	105.7210	0.000	1	106.8645	0.962	8	107.1897	1.035	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCCH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCCH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){3|H<1>}	H(CC[5]CC)	107.0100	0.000	1	107.0100	0.000	1	106.8645	0.962	8	107.1897	1.035	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCCH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCCH)(COO)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCH)(H){1|C<3>,1|O<1>}	H(CC[5]CC)	105.3070	0.000	1	105.3070	0.000	1	106.8645	0.962	8	107.1897	1.035	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H){1|Si<4>,1|C<4>,1|H<1>}	H(CC[5]CC)	106.6910	0.047	2	106.6910	0.002	2	106.8645	0.962	8	107.1897	1.035	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(COO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)(COO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCCH)(H){1|C<3>,1|H<1>}	H(CC[5]CC)	107.6975	0.011	2	107.6975	0.000	2	106.8645	0.962	8	107.1897	1.035	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]S)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CHHO)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]N[5]S)(CCCH)(H){1|C<4>,2|H<1>}	H(CC[5]CC)	108.1010	0.000	1	108.1010	0.000	1	106.8645	0.962	8	107.1897	1.035	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(COO)(H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)(COO)(H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H){1|H<1>,1|N<3>}	H(CC[5]CC)	108.0170	0.000	1	108.0170	0.000	1	107.2720	0.523	3	107.1897	1.035	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H){4|H<1>}	H(CC[5]CC)	106.5730	0.000	1	106.5730	0.000	1	107.2720	0.523	3	107.1897	1.035	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(CCO)(H)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)(CCO)(H)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H){1|O<1>}	H(CC[5]CC)	107.2260	0.000	1	107.2260	0.000	1	107.2720	0.523	3	107.1897	1.035	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(NOO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]2H)(CCHH)(NOO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHN)(H){2|H<1>}	H(CC[5]CN)	109.0280	0.000	1	109.0280	0.000	1	107.1613	2.624	3	107.1897	1.035	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]HH)(NCH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]2H)(CC[6a]HH)(NCH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCHN)(H){1|C<4>,2|H<1>}	H(CC[5]CN)	106.1240	0.000	1	106.1240	0.000	1	107.1613	2.624	3	107.1897	1.035	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CF3)(NHS)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]2H)(CF3)(NHS)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHN)(H){2|C<3>}	H(CC[5]CN)	106.3320	0.000	1	106.3320	0.000	1	107.1613	2.624	3	107.1897	1.035	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:4:1:	4:	C[5]-4:P-4:N-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(PO3)(NHS)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHNP)(H)	H(CC[5]NP)	C(C[5]C[5]N[5]H)(PO3)(NHS)(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHNP)(H){2|C<4>}	H(CC[5]NP)	107.3050	0.000	1	107.3050	0.000	1	107.3050	0.000	1	107.1897	1.035	18	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:4:2:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:N-2:	C-4:	C(C[5]C[5]2N)(CHHN)(CCH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(NN)	H(CC[5]CC)	C(C[5]C[5]2N)(CHHN)(CCH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(NN){2|C<3>}	H(CC[5]CC)	107.7010	0.000	1	107.7010	0.000	1	107.7010	0.000	1	108.5545	1.457	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:4:2:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C-4:	C(C[5]C[5]2C)(CCHH)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)(CN)	H(CC[5]CN)	C(C[5]C[5]2C)(CCHH)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)(CN){4|H<1>}	H(CC[5]CN)	109.4080	0.000	1	109.4080	0.000	1	109.4080	0.000	1	108.5545	1.457	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:4:3:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CH3)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCCH)(COO)	H(CC[5]CC)	C(C[5]C[5]N[5]C)(CH3)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCCH)(COO){1|O<1>,2|H<1>}	H(CC[5]CC)	105.1300	0.000	1	105.1300	0.000	1	105.1300	0.000	1	105.1300	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:3:4:4:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]N[5]S)(CCCH)(CH3)	H(CC[5]CC)	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]N[5]S)(CCCH)(CH3){1|C<3>}	H(CC[5]CC)	107.5350	0.361	2	107.5350	0.130	2	107.5350	0.130	2	107.5350	0.130	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:2:1:	4:	C[5]-4:C[6]-4:N[4]-3:H-1:	C[5]-4:C-4:O[5]-2:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(N[4]C[4]2)(H)	C[5](C[5]C[5]O[5]H)(CC[6]N[4]H)(O[5]C[5])(H)	H(CC[5]C[6]N[4])	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(N[4]C[4]2)(H)	C[5](C[5]C[5]O[5]H)(CC[6]N[4]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	H(CC[5]C[6]N[4])	105.6410	1.175	2	105.6410	1.381	2	105.6410	1.381	2	105.6410	1.381	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(COO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(COO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]CC)	108.8790	0.642	5	108.8790	0.412	5	108.0689	0.558	47	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(COO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H){3|C<4>,4|H<1>}	H(CC[5]CC)	109.7020	0.000	1	109.7020	0.000	1	108.0689	0.558	47	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5]CC)	107.2410	0.000	1	107.8146	0.361	32	108.0689	0.558	47	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,4|H<1>}	H(CC[5]CC)	108.0458	0.271	5	107.8146	0.361	32	108.0689	0.558	47	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	H(CC[5]CC)	107.8142	0.389	9	107.8146	0.361	32	108.0689	0.558	47	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]CC)	108.0680	0.445	5	107.8146	0.361	32	108.0689	0.558	47	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	H(CC[5]CC)	107.6608	0.836	12	107.8146	0.361	32	108.0689	0.558	47	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(CCO)(H)	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5,6]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)(CCO)(H)	C[5](C[5,6]C[5,6]C[6]S)(C[5]C[5,6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	H(CC[5]CC)	109.6810	0.000	1	109.6810	0.000	1	108.0689	0.558	47	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(CNO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)(CNO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	H(CC[5]CC)	108.7080	0.095	2	108.7080	0.009	2	108.0689	0.558	47	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CCCH)(H){3|H<1>,4|C<4>}	H(CC[5]CC)	107.5165	0.315	2	107.5165	0.099	2	108.0689	0.558	47	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	H(CC[5]CC)	107.9505	0.190	2	108.2362	0.194	4	108.0689	0.558	47	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	H(CC[5]CC)	108.5220	0.468	2	108.2362	0.194	4	108.0689	0.558	47	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>}	H(CC[5]CC)	108.3660	0.000	1	108.3660	0.000	1	106.6195	18.367	9	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CCO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){4|H<1>}	H(CC[5]CC)	108.5170	0.895	2	108.5170	0.801	2	106.6195	18.367	9	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(COO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(COO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|O<2>,3|H<1>}	H(CC[5]CC)	99.1577	0.000	2	99.1577	0.000	2	106.6195	18.367	9	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]HO)(CCH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CC[6a]HO)(CCH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(H){1|S<4>,2|H<1>}	H(CC[5]CC)	110.0610	0.000	1	110.0610	0.000	1	106.6195	18.367	9	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|H<1>}	H(CC[5]CC)	108.2560	0.000	1	108.2560	0.000	1	106.6195	18.367	9	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCCH)(H){1|S<4>,2|H<1>}	H(CC[5]CC)	108.1610	0.000	1	108.1610	0.000	1	106.6195	18.367	9	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CHHO)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CC)	109.3820	0.000	1	109.3820	0.000	1	106.6195	18.367	9	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(NCC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5,6]C[5]H)(CH3)(NCC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHN)(H){2|C<4>,5|H<1>}	H(CC[5]CN)	106.8505	0.514	2	106.8505	0.264	2	107.3750	1.420	6	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(NCC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5,6]C[5]H)(CH3)(NCC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]CN)	106.8490	0.000	1	106.5180	0.219	2	107.3750	1.420	6	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(NCC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5,6]C[5]H)(CH3)(NCC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H){3|C<4>,4|H<1>}	H(CC[5]CN)	106.1870	0.000	1	106.5180	0.219	2	107.3750	1.420	6	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(NCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5,6]C[5]H)(CH3)(NCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCHN)(H){2|C<4>,5|H<1>}	H(CC[5]CN)	108.1310	0.000	1	108.1310	0.000	1	107.3750	1.420	6	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(NCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5,6]C[5]H)(CH3)(NCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCHN)(H){3|C<4>,4|H<1>}	H(CC[5]CN)	109.3820	0.000	1	109.3820	0.000	1	107.3750	1.420	6	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HO)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]2H)(CC[5]HO)(NCH)(H)	C[5](C[5]C[5]HN)(C[5]C[5]HO)(CCHN)(H){1|C<3>,3|H<1>}	H(CC[5]CN)	106.8215	0.142	2	106.8215	0.020	2	106.7460	0.491	5	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[6a]HH)(NCS)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]2H)(CC[6a]HH)(NCS)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHN)(H){4|H<1>}	H(CC[5]CN)	106.1410	0.280	2	106.1410	0.078	2	106.7460	0.491	5	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:1:	4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]2H)(CHHO)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CCHN)(H){1|O<1>}	H(CC[5]CN)	107.8050	0.000	1	107.8050	0.000	1	106.7460	0.491	5	107.7134	3.087	67	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:2:	4:	C[5]-4:C-4:N-3:H-1:	C[5,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5]C[5]O)(CH3)(NOO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(CCHN)(OH)	H(CC[5]CN)	C(C[5]C[5,5]C[5]O)(CH3)(NOO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(CCHN)(OH){1|H<1>,2|C<4>}	H(CC[5]CN)	107.4920	0.000	1	107.4920	0.000	1	107.4920	0.000	1	107.4920	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:3:1:	4:4:4:4:	4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCCH)(CCH)(H)	C[5](C[5]C[5]HH)2(CCCH)(CH3)	H(CC[5]CC)	C(C[5]C[5]2C)(CCCH)(CCH)(H)	C[5](C[5]C[5]HH)2(CCCH)(CH3){1|C<4>,3|H<1>}	H(CC[5]CC)	107.1345	0.083	2	107.1345	0.007	2	107.1345	0.007	2	107.1345	0.007	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	2:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:H-1:	C-4:	C(C[5]O[5]2H)(CH3)2(H)	C[5](O[5]C[5])2(CCCH)(H)	H(CC[5]CC)	C(C[5]O[5]2H)(CH3)2(H)	C[5](O[5]C[5])2(CCCH)(H){2|C<4>,2|H<1>}	H(CC[5]CC)	120.4280	0.000	1	120.4280	0.000	1	120.4280	0.000	1	120.4280	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	2:2:4:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]2C)(C[5]O[5]2C)(CHHN)(H)	C[5](O[5]C[5])2(CC[5]CH)(CCH)	H(CC[5]2C)	C(C[5]C[5]2C)(C[5]O[5]2C)(CHHN)(H)	C[5](O[5]C[5])2(CC[5]CH)(CCH){4|H<1>}	H(CC[5]2C)	106.5570	0.000	1	106.5570	0.000	1	106.5570	0.000	1	106.5570	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	2:2:4:4:	4:	C[5]-4:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(CC[5a]HH)2(H)	C[5](O[5]C[5])2(CCCH)2	H(CC[5]CC)	C(C[5]O[5]2C)(CC[5a]HH)2(H)	C[5](O[5]C[5])2(CCCH)2{4|H<1>}	H(CC[5]CC)	104.4930	0.049	2	104.4930	0.002	2	106.0331	1.977	8	106.0331	1.977	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	2:2:4:4:	4:	C[5]-4:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(CC[6a]HH)2(H)	C[5](O[5]C[5])2(CCCH)2	H(CC[5]CC)	C(C[5]O[5]2C)(CC[6a]HH)2(H)	C[5](O[5]C[5])2(CCCH)2{4|H<1>}	H(CC[5]CC)	104.9750	0.280	2	104.9750	0.078	2	106.0331	1.977	8	106.0331	1.977	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	2:2:4:4:	4:	C[5]-4:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	C-4:	C(C[5]O[5]2C)(CH3)2(H)	C[5](O[5]C[5])2(CCCH)2	H(CC[5]CC)	C(C[5]O[5]2C)(CH3)2(H)	C[5](O[5]C[5])2(CCCH)2{2|C<4>,2|H<1>}	H(CC[5]CC)	107.3323	0.088	4	107.3323	0.008	4	106.0331	1.977	8	106.0331	1.977	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	2:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-2:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]P[5,5])(C[5]O[5]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]P[5,5])(C[5]O[5]O)(CCCH)(H){1|Cl<1>,1|N<2>,1|O<2>}	H(CC[5]CC)	107.6890	0.000	1	107.6890	0.000	1	107.6890	0.000	1	107.6890	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:2:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:S[5]-2:S[5]-2:C-4:	C-4:	C(C[5]C[5]S[5]2)(CCHH)(CH3)(H)	C[5](C[5]C[5,6,6]C[5])(S[5]C[5])2(CCCH)	H(CC[5]CC)	C(C[5]C[5]S[5]2)(CCHH)(CH3)(H)	C[5](C[5]C[5,6,6]C[5])(S[5]C[5])2(CCCH){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	H(CC[5]CC)	106.9750	0.000	1	106.9750	0.000	1	106.9750	0.000	1	105.7040	3.231	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:2:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5a]-3:N[5]-2:S[5]-2:C-4:	C-4:	C(C[5]C[5a]N[5]S[5])(CH3)2(H)	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5])(CCCH)	H(CC[5]CC)	C(C[5]C[5a]N[5]S[5])(CH3)2(H)	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5])(CCCH){1|O<1>,2|C<3>,2|C<4>}	H(CC[5]CC)	104.4330	0.000	1	104.4330	0.000	1	104.4330	0.000	1	105.7040	3.231	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(H){1|C<3>,1|S<2>}	H(CC[5]CC)	107.9950	0.000	1	107.9950	0.000	1	107.9950	0.000	1	106.7412	2.673	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5]HH)(CCCH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CC[5]HH)(CCCH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H){1|Br<1>,1|O<1>}	H(CC[5]CC)	106.1790	0.000	1	106.1790	0.000	1	106.6065	0.366	2	106.7412	2.673	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[6a]CH)(CCHH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CC[6a]CH)(CCHH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H){1|Br<1>,1|O<1>}	H(CC[5]CC)	107.0340	0.000	1	107.0340	0.000	1	106.6065	0.366	2	106.7412	2.673	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]P[5]C)(C[5]O[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]P[5]C)(C[5]O[5])(CCCH)(H){1|B<4>,1|C<3>}	H(CC[5]CC)	107.0740	0.000	1	107.0740	0.000	1	107.0740	0.000	1	106.7412	2.673	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]N[5]O[5]H)(CCHH)2(H)	C[5](N[5]C[5]S)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]N[5]O[5]H)(CCHH)2(H)	C[5](N[5]C[5]S)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	H(CC[5]CC)	107.4590	0.000	1	107.4590	0.000	1	105.8347	10.970	3	106.7412	2.673	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]N[5]O[5]H)(CH3)2(H)	C[5](N[5]C[5,5]H)(O[5]C[5,5])(CCCH)(H)	H(CC[5]CC)	C(C[5]N[5]O[5]H)(CH3)2(H)	C[5](N[5]C[5,5]H)(O[5]C[5,5])(CCCH)(H){4|C<3>}	H(CC[5]CC)	102.0240	0.000	1	102.0240	0.000	1	105.8347	10.970	3	106.7412	2.673	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]N[5]O[5]H)(CH3)2(H)	C[5](N[5]C[5]Si)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]N[5]O[5]H)(CH3)2(H)	C[5](N[5]C[5]Si)(O[5]C[5])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]CC)	108.0210	0.000	1	108.0210	0.000	1	105.8347	10.970	3	106.7412	2.673	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:S[5]-2:C-4:H-1:	C-4:	C(C[5]N[5]S[5]H)(CH3)2(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]N[5]S[5]H)(CH3)2(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCCH)(H){1|O<1>,2|H<1>}	H(CC[5]CC)	107.6145	0.086	2	107.6145	0.007	2	107.6145	0.007	2	106.7412	2.673	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:4:1:	4:	C[5]-4:C[6]-4:C-4:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CCHH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H)	H(CC[5]C[6]C)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CCHH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H){1|Br<1>,1|O<1>}	H(CC[5]C[6]C)	106.8485	1.022	2	106.8485	1.044	2	106.6263	0.670	3	106.7412	2.673	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:4:1:	4:	C[5]-4:C[6]-4:C-4:H-1:	C[5]-3:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CC[5]HH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H)	H(CC[5]C[6]C)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CC[5]HH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H){1|Br<1>,1|O<1>}	H(CC[5]C[6]C)	106.1820	0.000	1	106.1820	0.000	1	106.6263	0.670	3	106.7412	2.673	12	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:4:2:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH)	H(CC[5]CC)	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH){2|C<3>}	H(CC[5]CC)	107.8495	0.156	2	107.8495	0.024	2	107.8773	0.015	3	107.8773	0.015	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:4:2:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(CH3)2(H)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(OC)	H(CC[5]CC)	C(C[5]C[5]O[5]O)(CH3)2(H)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(OC){1|Zn<5>,1|C<3>}	H(CC[5]CC)	107.9330	0.000	1	107.9330	0.000	1	107.8773	0.015	3	107.8773	0.015	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:4:3:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(CBrCH)(CH3)(H)	C[5](C[5]N[6]O[5])(O[5]B[5])(CCCH)(CCO)	H(CC[5]CC)	C(C[5]C[5]O[5]C)(CBrCH)(CH3)(H)	C[5](C[5]N[6]O[5])(O[5]B[5])(CCCH)(CCO){2|C<4>,2|F<1>}	H(CC[5]CC)	107.0290	0.000	1	107.0290	0.000	1	107.0290	0.000	1	107.4033	0.448	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:4:3:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:N[5]-2:C-4:C-3:	C-4:	C(C[5]N[5]2C)(CH3)2(H)	C[5](N[5]N[5]C)(N[5]C[5])(CCCH)(COO)	H(CC[5]CC)	C(C[5]N[5]2C)(CH3)2(H)	C[5](N[5]N[5]C)(N[5]C[5])(CCCH)(COO){2|C<3>}	H(CC[5]CC)	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	107.4033	0.448	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:4:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-3:O[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(CH3)(H)	C[5](C[5]N[6]O[5])(O[5]B[5])(CC[5]CH)(CCO)	H(CC[5]2C)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(CH3)(H)	C[5](C[5]N[6]O[5])(O[5]B[5])(CC[5]CH)(CCO){2|C<4>,2|F<1>}	H(CC[5]2C)	107.0050	0.000	1	107.0050	0.000	1	107.0050	0.000	1	107.4033	0.448	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	H(CC[5]CC)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|C<3>,1|H<1>}	H(CC[5]CC)	107.2253	0.133	3	107.2430	0.011	5	107.2430	0.011	5	107.2445	0.456	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	H(CC[5]CC)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|Cu<5>,1|C<3>}	H(CC[5]CC)	107.2190	0.000	1	107.2430	0.011	5	107.2430	0.011	5	107.2445	0.456	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	H(CC[5]CC)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|H<1>,1|S<1>}	H(CC[5]CC)	107.3200	0.000	1	107.2430	0.011	5	107.2430	0.011	5	107.2445	0.456	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CH3)2(H)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)2	H(CC[5]CC)	C(C[5]C[5]O[5]C)(CH3)2(H)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)2{1|C<3>}	H(CC[5]CC)	107.9520	0.413	2	107.9520	0.171	2	107.9520	0.171	2	107.2445	0.456	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:2:4:4:	4:	C[5]-4:C[6]-4:C-4:H-1:	C[5]-3:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(C[6]C[6]2H)(CCHH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(CH3)	H(CC[5]C[6]C)	C(C[5]C[5]O[5]C)(C[6]C[6]2H)(CCHH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(CH3){1|Br<1>,1|O<1>}	H(CC[5]C[6]C)	105.8370	0.000	1	105.8370	0.000	1	105.8370	0.000	1	107.2445	0.456	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:2:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5a]-3:N[5]-3:S[5]-2:C-4:	C-4:	C(C[5]C[5a]N[5]S[5])(CH3)2(H)	C[5](C[5a]N[5a]S[5a])(N[5]C[5]H)(S[5]C[5])(CCCH)	H(CC[5]CC)	C(C[5]C[5a]N[5]S[5])(CH3)2(H)	C[5](C[5a]N[5a]S[5a])(N[5]C[5]H)(S[5]C[5])(CCCH){1|O<1>,2|C<3>,2|C<4>}	H(CC[5]CC)	105.4700	0.000	1	105.4700	0.000	1	105.4700	0.000	1	105.4700	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:3:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C-4:	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(CF3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH)	H(CC[5]CC)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(CF3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH){1|C<4>,3|H<1>,4|C<3>}	H(CC[5]CC)	106.7940	0.000	1	106.7940	0.000	1	106.7940	0.000	1	106.7940	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5a]N[5]H)(CH3)2(H)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5a]N[5]H)(CH3)2(H)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>}	H(CC[5]CC)	106.7890	0.000	1	106.7890	0.000	1	107.2725	0.468	2	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5a]N[5]H)(CH3)2(H)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5a]N[5]H)(CH3)2(H)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(CCCH)(H){1|O<2>,2|H<1>,3|C<3>}	H(CC[5]CC)	107.7560	0.000	1	107.7560	0.000	1	107.2725	0.468	2	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)(H){1|B<4>,1|H<1>,2|C<3>}	H(CC[5]CC)	107.6015	0.162	2	107.6015	0.026	2	107.3100	0.268	3	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(CC[5]CC)	106.7270	0.000	1	106.7270	0.000	1	107.3100	0.268	3	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5,5]H)(CC[6]HO)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6a]N[5,5]H)(CC[6]HO)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(CCCH)(H){1|N<3>,2|H<1>,3|C<3>}	H(CC[5]CC)	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:N[5,5a]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCCH)(H){1|N<2>,2|H<1>,3|C<3>}	H(CC[5]CC)	107.1280	0.000	1	107.1280	0.000	1	107.1280	0.000	1	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6a]N[5]H)(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]CC)	106.6790	0.000	1	106.6790	0.000	1	108.3585	5.641	2	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6a]N[5]H)(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]S)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6a]N[5]H)(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]S)(CCCH)(H){1|H<1>,2|C<3>}	H(CC[5]CC)	110.0380	0.000	1	110.0380	0.000	1	108.3585	5.641	2	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C[5](C[5]C[5]N)(N[5]C[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C[5](C[5]C[5]N)(N[5]C[5]H)(CCCH)(H){1|O<1>,2|H<1>}	H(CC[5]CC)	106.8310	0.000	1	106.8310	0.000	1	107.3263	0.363	19	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H){1|C<3>,1|O<1>}	H(CC[5]CC)	107.7345	0.381	2	107.6813	0.081	3	107.3263	0.363	19	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H){1|O<1>,2|H<1>}	H(CC[5]CC)	107.5750	0.000	1	107.6813	0.081	3	107.3263	0.363	19	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C[5](C[5]O[5]O)(N[5]C[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C[5](C[5]O[5]O)(N[5]C[5]H)(CCCH)(H){1|O<1>}	H(CC[5]CC)	107.0290	0.000	1	107.0290	0.000	1	107.3263	0.363	19	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CF3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CF3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>}	H(CC[5]CC)	105.5310	0.000	1	105.5310	0.000	1	107.3263	0.363	19	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|N<3>,1|O<1>}	H(CC[5]CC)	107.0460	0.000	1	107.0460	0.000	1	107.3263	0.363	19	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]CC)	108.5150	0.000	1	108.5150	0.000	1	107.3263	0.363	19	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H){1|H<1>,2|C<4>}	H(CC[5]CC)	107.2035	0.172	2	107.2035	0.030	2	107.3263	0.363	19	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|C<3>,1|H<1>,1|N<2>}	H(CC[5]CC)	107.2990	0.834	2	107.3618	0.185	5	107.3263	0.363	19	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|C<4>,1|S<1>}	H(CC[5]CC)	107.4780	0.000	1	107.3618	0.185	5	107.3263	0.363	19	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|H<1>,1|O<1>}	H(CC[5]CC)	107.2650	0.000	1	107.3618	0.185	5	107.3263	0.363	19	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|H<1>,1|S<1>}	H(CC[5]CC)	107.4680	0.000	1	107.3618	0.185	5	107.3263	0.363	19	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H){2|C<4>}	H(CC[5]CC)	107.4505	0.111	2	107.4967	0.010	4	107.3263	0.363	19	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H){2|H<1>}	H(CC[5]CC)	107.5430	0.092	2	107.4967	0.010	4	107.3263	0.363	19	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5,5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CCCH)(H){1|O<1>,3|C<3>}	H(CC[5]CC)	108.3470	0.000	1	108.3470	0.000	1	108.3470	0.000	1	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(CH3)2(H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]N[5,6]C[5]H)(CH3)2(H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CC)	107.6930	0.000	1	107.6930	0.000	1	107.6328	0.165	4	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(CH3)2(H)	C[5](N[5,6]Si[5,6]C[6])(C[5]O[5]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]N[5,6]C[5]H)(CH3)2(H)	C[5](N[5,6]Si[5,6]C[6])(C[5]O[5]O)(CCCH)(H){1|C<3>,1|O<2>,3|C<4>}	H(CC[5]CC)	107.6127	0.496	3	107.6127	0.246	3	107.6328	0.165	4	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:B[5]-3:C-4:H-1:	C-4:	C(C[5]B[5]N[5]H)(CCHH)2(H)	C[5](N[5]C[6a]C[5])(B[5]O[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]B[5]N[5]H)(CCHH)2(H)	C[5](N[5]C[6a]C[5])(B[5]O[5]C)(CCCH)(H){1|O<1>,2|C<3>}	H(CC[5]CC)	106.7160	0.000	1	106.7160	0.000	1	106.7160	0.000	1	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>}	H(CC[5]CC)	107.4645	0.021	2	107.0265	0.638	4	107.0265	0.638	4	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CCCH)(H){1|N<3>,2|O<2>}	H(CC[5]CC)	106.5885	1.071	2	107.0265	0.638	4	107.0265	0.638	4	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:1:	4:	C[5]-4:N-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C-4:	C(C[5]C[5,6a]C[5]F)(NHHS)(CF3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(F)	H(CC[5]CN)	C(C[5]C[5,6a]C[5]F)(NHHS)(CF3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(F){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CN)	106.2585	0.508	2	106.2585	0.258	2	106.2585	0.258	2	107.3258	0.576	40	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:2:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5,6a]C[5]O)(CC[5]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC)	H(CC[5]CC)	C(C[5]C[5,6a]C[5]O)(CC[5]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CC)	106.4660	0.000	1	106.4660	0.000	1	106.4660	0.000	1	106.4660	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:3:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:C-3:	C-4:	C(C[5]C[5,6a]2C)(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(CCO)	H(CC[5]CC)	C(C[5]C[5,6a]2C)(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(CCO){2|H<1>,4|C<3>}	H(CC[5]CC)	106.8210	0.000	1	106.8210	0.000	1	106.8210	0.000	1	106.8210	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3)	H(CC[5]CC)	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3){3|C<3>}	H(CC[5]CC)	106.3075	0.431	2	106.3075	0.185	2	105.9444	0.467	9	106.6091	0.740	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH)	H(CC[5]CC)	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<3>}	H(CC[5]CC)	105.6942	0.679	6	105.6942	0.461	6	105.9444	0.467	9	106.6091	0.740	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C[5](C[5]N[5]O)2(CCCH)(CCHH)	H(CC[5]CC)	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C[5](C[5]N[5]O)2(CCCH)(CCHH){2|C<3>}	H(CC[5]CC)	106.7200	0.000	1	106.7200	0.000	1	105.9444	0.467	9	106.6091	0.740	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3)	H(CC[5]CC)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3){1|C<3>,2|H<1>}	H(CC[5]CC)	107.3980	0.000	1	107.2448	0.446	5	107.2758	0.363	6	106.6091	0.740	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3)	H(CC[5]CC)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3){1|Co<6>,1|C<3>}	H(CC[5]CC)	107.4605	1.018	2	107.2448	0.446	5	107.2758	0.363	6	106.6091	0.740	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3)	H(CC[5]CC)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3){1|Mn<6>,1|C<3>}	H(CC[5]CC)	106.9525	0.680	2	107.2448	0.446	5	107.2758	0.363	6	106.6091	0.740	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)2	H(CC[5]CC)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)2{1|C<3>,1|O<1>}	H(CC[5]CC)	107.4310	0.000	1	107.4310	0.000	1	107.2758	0.363	6	106.6091	0.740	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:4:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(CH3)2(H)	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3)	H(CC[5]CC)	C(C[5]N[5]2C)(CH3)2(H)	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]CC)	107.3080	0.000	1	107.1045	0.050	4	107.1045	0.050	4	106.6091	0.740	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:4:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(CH3)2(H)	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3)	H(CC[5]CC)	C(C[5]N[5]2C)(CH3)2(H)	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3){1|C<3>,1|O<1>}	H(CC[5]CC)	107.2720	0.000	1	107.1045	0.050	4	107.1045	0.050	4	106.6091	0.740	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:4:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(CH3)2(H)	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3)	H(CC[5]CC)	C(C[5]N[5]2C)(CH3)2(H)	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3){1|H<1>,1|O<1>}	H(CC[5]CC)	106.8400	0.000	1	107.1045	0.050	4	107.1045	0.050	4	106.6091	0.740	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:3:4:4:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C-4:	C(C[5]N[5]2C)(CH3)2(H)	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3)	H(CC[5]CC)	C(C[5]N[5]2C)(CH3)2(H)	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3){1|O<1>,2|H<1>}	H(CC[5]CC)	106.9980	0.000	1	107.1045	0.050	4	107.1045	0.050	4	106.6091	0.740	19	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:2:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]O[5]O)(CC[6a]CH)(N[5]C[5])(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]O[5]O)(CC[6a]CH)(N[5]C[5])(CCCH){1|C<3>}	H(CC[5]CC)	107.5080	0.000	1	107.5080	0.000	1	107.1578	0.058	10	107.1578	0.058	10	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:2:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CCCH){1|C<3>}	H(CC[5]CC)	107.1265	0.233	8	107.1265	0.054	8	107.1578	0.058	10	107.1578	0.058	10	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:2:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C-4:N[5]-2:C-4:	C-4:	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]S[5]O)(CC[6a]HN)(N[5]C[5])(CCCH)	H(CC[5]CC)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]S[5]O)(CC[6a]HN)(N[5]C[5])(CCCH){1|S<2>}	H(CC[5]CC)	107.0580	0.000	1	107.0580	0.000	1	107.1578	0.058	10	107.1578	0.058	10	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5a]C[5]H)(CH3)2(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5a]C[5]H)(CH3)2(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CC)(CCCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(CC[5]CC)	106.0850	0.000	1	106.0850	0.000	1	107.3860	3.385	2	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5a]C[5]H)(CH3)2(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5a]C[5]H)(CH3)2(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(CC[5]CC)	108.6870	0.000	1	108.6870	0.000	1	107.3860	3.385	2	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){3|C<4>,3|H<1>}	H(CC[5]CC)	108.1990	0.000	1	108.1990	0.000	1	108.1990	0.000	1	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5,5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5,6]C[5]H)(CH3)2(H)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]N[5,5,6]C[5]H)(CH3)2(H)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(CCCH)(H){1|O<1>,1|S<2>,2|C<4>}	H(CC[5]CC)	108.0090	0.801	3	108.0090	0.641	3	108.0090	0.641	3	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCCH)(H){1|F<1>,1|N<2>,1|N<3>,2|H<1>}	H(CC[5]CC)	107.9645	1.066	2	107.8040	0.645	3	106.9998	1.915	15	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCCH)(H){1|N<2>,1|N<3>,3|H<1>}	H(CC[5]CC)	107.4830	0.000	1	107.8040	0.645	3	106.9998	1.915	15	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H){1|B<4>,1|C<3>,1|N<3>}	H(CC[5]CC)	107.3542	0.183	6	106.8330	2.554	10	106.9998	1.915	15	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|H<1>,1|N<3>}	H(CC[5]CC)	104.5445	3.102	2	106.8330	2.554	10	106.9998	1.915	15	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|N<3>,1|P<3>}	H(CC[5]CC)	107.5580	0.202	2	106.8330	2.554	10	106.9998	1.915	15	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CC)	106.7680	0.000	1	106.7680	0.000	1	106.9998	1.915	15	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(CCCH)(H)	H(CC[5]CC)	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(CCCH)(H){1|H<1>,1|O<1>,3|C<3>}	H(CC[5]CC)	106.4870	0.000	1	106.4870	0.000	1	106.9998	1.915	15	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(CH3)2(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]N[5,6]C[5]H)(CH3)2(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	H(CC[5]CC)	107.0160	0.000	1	107.0160	0.000	1	107.0380	0.001	2	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]N[5,6]C[5]H)(CH3)2(H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]N[5,6]C[5]H)(CH3)2(H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]CC)	107.0600	0.000	1	107.0600	0.000	1	107.0380	0.001	2	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H){1|O<1>,2|C<3>}	H(CC[5]CC)	107.4430	0.000	1	107.4430	0.000	1	107.2195	0.526	13	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CC)	107.4080	0.000	1	107.4080	0.000	1	107.2195	0.526	13	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]C[4]C[5])(C[5]N[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]C[4]C[5])(C[5]N[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	H(CC[5]CC)	107.4640	0.042	2	107.4640	0.002	2	107.2195	0.526	13	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]C[4]C[5])(C[5]S[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]C[4]C[5])(C[5]S[5]HH)(CCCH)(H){1|C<4>,1|N<2>,1|S<1>}	H(CC[5]CC)	106.6680	0.000	1	106.6680	0.000	1	107.2195	0.526	13	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]C[5,5]H)(C[5]O[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]C[5,5]H)(C[5]O[5]HH)(CCCH)(H){1|C<4>,1|O<2>}	H(CC[5]CC)	107.4930	0.000	1	107.4930	0.000	1	107.2195	0.526	13	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CC)	106.4640	1.899	2	106.4640	3.607	2	107.2195	0.526	13	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]CC)	107.6880	0.145	3	107.6880	0.021	3	107.2195	0.526	13	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<4>,3|C<3>}	H(CC[5]CC)	106.9610	0.380	2	106.9610	0.145	2	107.2195	0.526	13	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:1:	4:	C[5]-4:N-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6a]C[5]H)(NC[6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5,6a]C[5]H)(NC[6a]HH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHN)(H){2|C<3>,3|H<1>}	H(CC[5]CN)	107.9540	0.000	1	107.9540	0.000	1	107.9540	0.000	1	107.2400	1.166	37	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:2:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5a]-3:C[5]-4:C-4:C-2:	C-4:	C(C[5]C[5,5a]C[5]C)(CH3)2(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(CN)	H(CC[5]CC)	C(C[5]C[5,5a]C[5]C)(CH3)2(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CCCH)(CN){1|C<3>,1|S<2>,3|H<1>}	H(CC[5]CC)	105.6380	0.000	1	105.6380	0.000	1	105.6380	0.000	1	105.6380	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(CH3)	H(CC[5]CC)	C(C[5]C[5,6]C[5]C)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(CH3){2|C<4>,4|H<1>}	H(CC[5]CC)	106.7045	0.053	2	106.7045	0.003	2	106.7045	0.003	2	106.4153	0.252	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	3:4:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5,6a]C[5]C)(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCCH)(CHHN)	H(CC[5]CC)	C(C[5]C[5,6a]C[5]C)(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCCH)(CHHN){2|C<3>,3|H<1>}	H(CC[5]CC)	105.8370	0.000	1	105.8370	0.000	1	105.8370	0.000	1	106.4153	0.252	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(CCHO)(CH3)(H)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5]O[5]H)(CCHO)(CH3)(H)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(CC[5]CC)	104.7740	0.000	1	104.7740	0.000	1	104.7740	0.000	1	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)2(H)	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)2(H)	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H){1|C<3>}	H(CC[5]CC)	107.4090	0.306	5	107.4090	0.094	5	107.8888	0.805	64	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]HH)(N[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]HH)(N[5]C[5])(CCCH)(H){2|C<3>}	H(CC[5]CC)	107.3780	0.503	2	107.3780	0.253	2	107.8888	0.805	64	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H){1|B<4>}	H(CC[5]CC)	108.1243	0.769	3	108.4257	0.208	12	107.8888	0.805	64	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H){1|C<3>}	H(CC[5]CC)	108.5367	0.304	6	108.4257	0.208	12	107.8888	0.805	64	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H){1|C<4>}	H(CC[5]CC)	108.5050	0.370	3	108.4257	0.208	12	107.8888	0.805	64	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H){1|C<3>}	H(CC[5]CC)	108.0341	0.863	23	107.8216	0.966	45	107.8888	0.805	64	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H){1|C<4>}	H(CC[5]CC)	107.5994	1.069	22	107.8216	0.966	45	107.8888	0.805	64	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(CCCN)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCCH)(CCCN)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H){2|C<4>}	H(CC[5]CC)	106.9580	0.000	1	106.9580	0.000	1	107.6220	0.781	22	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(CCCS)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCCH)(CCCS)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H){2|C<4>}	H(CC[5]CC)	104.8390	0.000	1	104.8390	0.000	1	107.6220	0.781	22	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(CH3)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCCH)(CH3)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CC)	107.1410	0.253	2	107.1410	0.064	2	107.6220	0.781	22	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCCH)(CHHS)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCCH)(CHHS)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H){2|H<1>,2|O<2>}	H(CC[5]CC)	106.4620	0.000	1	106.4620	0.000	1	107.6220	0.781	22	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCH)(H){2|C<4>}	H(CC[5]CC)	107.4570	0.118	4	107.4570	0.014	4	107.6220	0.781	22	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(CHHS)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCHH)(CHHS)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H){2|H<1>,2|O<2>}	H(CC[5]CC)	107.9140	0.000	1	107.9140	0.000	1	107.6220	0.781	22	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(H){1|O<1>,2|H<1>}	H(CC[5]CC)	108.3950	0.000	1	108.3950	0.000	1	107.6220	0.781	22	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|C<3>,2|C<4>}	H(CC[5]CC)	107.6795	0.424	2	107.6795	0.179	2	107.6220	0.781	22	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H){1|O<1>}	H(CC[5]CC)	107.1440	0.000	1	107.1440	0.000	1	107.6220	0.781	22	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CC[5a]HH)(CH3)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CC[5a]HH)(CH3)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	H(CC[5]CC)	107.7440	0.000	1	107.7440	0.000	1	107.6220	0.781	22	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)2(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CH3)2(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>,1|S<2>}	H(CC[5]CC)	108.2900	0.052	2	108.2900	0.003	2	107.6220	0.781	22	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)2(H)	C[5](C[5]N[5]CC)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CH3)2(H)	C[5](C[5]N[5]CC)(O[5]C[5])(CCCH)(H){1|C<3>,1|O<1>}	H(CC[5]CC)	108.7760	0.000	1	108.7760	0.000	1	107.6220	0.781	22	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>}	H(CC[5]CC)	108.7340	0.000	1	108.7340	0.000	1	107.6220	0.781	22	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)(CH3)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CHHO)(CH3)(H)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	H(CC[5]CC)	107.6240	0.000	1	107.6240	0.000	1	107.6220	0.781	22	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CHHO)2(H)	C[5](C[5]C[4]N[5]C)(O[5]C[5])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]O[5]H)(CHHO)2(H)	C[5](C[5]C[4]N[5]C)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>,3|C<4>}	H(CC[5]CC)	108.5220	0.021	2	108.5220	0.000	2	107.6220	0.781	22	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C-4:N-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H){2|H<1>,2|O<2>}	H(CC[5]CN)	108.6270	1.224	3	108.6270	1.497	3	108.6270	1.497	3	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H)	H(CC[5]2C)	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H){1|C<4>,3|H<1>}	H(CC[5]2C)	107.3280	0.000	1	107.4155	0.015	2	107.2637	0.077	3	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H)	H(CC[5]2C)	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]2C)	107.5030	0.000	1	107.4155	0.015	2	107.2637	0.077	3	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(CH3)(H)	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]CH)(H)	H(CC[5]2C)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(CH3)(H)	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]CH)(H){1|C<3>}	H(CC[5]2C)	106.9600	0.000	1	106.9600	0.000	1	107.2637	0.077	3	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:N-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5]O[5]H)(NRuHH)(CH3)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	H(CC[5]CN)	C(C[5]C[5]O[5]H)(NRuHH)(CH3)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	H(CC[5]CN)	108.8465	1.681	2	108.8465	2.825	2	108.8465	2.825	2	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:1:	4:	C[5]-4:S-4:C-4:H-1:	C[5,5]-4:O[5]-2:C-4:H-1:	C-4:	C(C[5]C[5,5]O[5]H)(SC[6a]OO)(CCHH)(H)	C[5](C[5,5]C[5]O[5]2)(O[5]C[5,5])(CCHS)(H)	H(CC[5]CS)	C(C[5]C[5,5]O[5]H)(SC[6a]OO)(CCHH)(H)	C[5](C[5,5]C[5]O[5]2)(O[5]C[5,5])(CCHS)(H){2|H<1>,4|C<4>}	H(CC[5]CS)	107.5170	0.000	1	107.5170	0.000	1	107.5170	0.000	1	107.8148	0.933	96	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:2:	4:	C[5]-4:C-4:C-4:H-1:	C[3,5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[3,5]O[5]O)(CH3)2(H)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(CCCH)(OO)	H(CC[5]CC)	C(C[5]C[3,5]O[5]O)(CH3)2(H)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(CCCH)(OO){1|O<2>,2|C<3>}	H(CC[5]CC)	104.7560	0.000	1	104.7560	0.000	1	104.7560	0.000	1	105.8420	1.121	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:2:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5,5]O[5]O)(CCHH)(CH3)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCCH)(OH)	H(CC[5]CC)	C(C[5]C[5,5]O[5]O)(CCHH)(CH3)(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCCH)(OH){1|H<1>,1|O<1>,4|C<4>}	H(CC[5]CC)	106.8710	0.000	1	106.8710	0.000	1	106.8710	0.000	1	105.8420	1.121	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:2:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:O-2:	C-4:	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(OH)	H(CC[5]CC)	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(OH){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]CC)	105.8990	0.000	1	105.8990	0.000	1	105.8990	0.000	1	105.8420	1.121	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5]CH)(COO)	H(CC[5]2C)	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5]CH)(COO){1|C<3>,2|H<1>}	H(CC[5]2C)	108.1610	0.000	1	108.1610	0.000	1	107.8264	0.197	5	107.8264	0.197	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CHHN)(H)	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5]CH)(COO)	H(CC[5]2C)	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CHHN)(H)	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5]CH)(COO){1|C<3>,2|H<1>}	H(CC[5]2C)	108.0900	0.100	2	108.0900	0.010	2	107.8264	0.197	5	107.8264	0.197	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-2:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CHHN)(H)	C[5](C[5]S[5]HH)(N[5]C[5])(CC[5]CH)(COO)	H(CC[5]2C)	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CHHN)(H)	C[5](C[5]S[5]HH)(N[5]C[5])(CC[5]CH)(COO){1|C<3>}	H(CC[5]2C)	107.3955	0.395	2	107.3955	0.156	2	107.8264	0.197	5	107.8264	0.197	5	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,5]O[5]C)(CH3)2(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCCH)2	H(CC[5]CC)	C(C[5]C[5,5]O[5]C)(CH3)2(H)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCCH)2{2|C<4>,2|H<1>}	H(CC[5]CC)	107.5840	0.088	2	107.5840	0.008	2	107.5840	0.008	2	106.3034	2.398	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5,6]O[5]C)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCCH)2	H(CC[5]CC)	C(C[5]C[5,6]O[5]C)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCCH)2{3|C<4>,4|H<1>}	H(CC[5]CC)	105.5355	1.914	4	105.5355	3.665	4	105.5355	3.665	4	106.3034	2.398	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CCHH)2(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(CHHI)	H(CC[5]CC)	C(C[5]C[5]O[5]C)(CCHH)2(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(CHHI){1|O<1>,2|H<1>}	H(CC[5]CC)	106.4780	0.000	1	106.4780	0.000	1	106.5585	0.013	2	106.3034	2.398	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:2:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:C-4:	C-4:	C(C[5]C[5]O[5]C)(CH3)2(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(CCHH)	H(CC[5]CC)	C(C[5]C[5]O[5]C)(CH3)2(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(CCHH){2|C<4>,2|H<1>}	H(CC[5]CC)	106.6390	0.000	1	106.6390	0.000	1	106.5585	0.013	2	106.3034	2.398	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	H(CC[5]CC)	108.1060	0.610	3	108.1060	0.372	3	108.1095	0.248	4	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(CC[3]HH)(CH3)(H)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5,6]C[5]H)(CC[3]HH)(CH3)(H)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]H)(CCCH)(H){2|C<3>,2|H<1>,3|C<4>}	H(CC[5]CC)	108.1200	0.000	1	108.1200	0.000	1	108.1095	0.248	4	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CH3)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5]C[5]H)(CH3)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]CC)	107.2140	0.000	1	107.2140	0.000	1	107.2140	0.000	1	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CH3)2(H)	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5]N[5]H)(CH3)2(H)	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>}	H(CC[5]CC)	106.0840	0.000	1	106.0840	0.000	1	106.7965	1.033	4	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CH3)2(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5]N[5]H)(CH3)2(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]CC)	105.9690	0.000	1	105.9690	0.000	1	106.7965	1.033	4	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CH3)2(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5]N[5]H)(CH3)2(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCCH)(H){2|C<3>,2|H<1>}	H(CC[5]CC)	108.1670	0.000	1	108.1670	0.000	1	106.7965	1.033	4	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CH3)2(H)	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5]N[5]H)(CH3)2(H)	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>}	H(CC[5]CC)	106.9660	0.000	1	106.9660	0.000	1	106.7965	1.033	4	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5]CC)	109.0170	0.000	1	108.5585	0.420	2	108.0167	0.275	6	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]CC)	108.1000	0.000	1	108.5585	0.420	2	108.0167	0.275	6	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[5]HO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CC[5]HO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H){2|C<4>,3|H<1>}	H(CC[5]CC)	107.5210	0.000	1	107.5210	0.000	1	108.0167	0.275	6	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCCH)(H){3|C<4>,4|H<1>}	H(CC[5]CC)	107.8207	0.052	3	107.8207	0.003	3	108.0167	0.275	6	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(CH3)2(H)	C[5](C[5,6]C[5,5,6]O[6]O)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]N[5]H)(CH3)2(H)	C[5](C[5,6]C[5,5,6]O[6]O)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(CC[5]CC)	108.1090	0.000	1	108.1090	0.000	1	107.5480	0.629	2	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,6]N[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]N[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	H(CC[5]CC)	106.9870	0.000	1	106.9870	0.000	1	107.5480	0.629	2	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCCH)(H){1|O<1>,1|O<2>}	H(CC[5]CC)	107.3890	0.000	1	107.3890	0.000	1	106.9778	1.168	29	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	H(CC[5]CC)	106.1243	0.234	3	106.5113	0.635	4	106.9778	1.168	29	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|H<1>,1|O<1>}	H(CC[5]CC)	107.6720	0.000	1	106.5113	0.635	4	106.9778	1.168	29	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCCH)(H){1|S<4>,2|H<1>}	H(CC[5]CC)	107.0170	1.430	2	107.0170	2.044	2	106.9778	1.168	29	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CHHS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CHHS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H){1|Si<4>,1|C<3>,1|H<1>}	H(CC[5]CC)	106.1790	0.000	1	106.1790	0.000	1	106.9778	1.168	29	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHO)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCHO)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CC)	105.7839	0.187	7	105.7839	0.035	7	106.9778	1.168	29	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(CC[5]CC)	108.1310	0.287	2	108.1310	0.082	2	106.9778	1.168	29	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)(H){1|H<1>,1|O<1>}	H(CC[5]CC)	108.5268	0.520	5	108.5268	0.270	5	106.9778	1.168	29	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CCCH)(H){1|C<3>,1|N<3>}	H(CC[5]CC)	107.3560	0.048	2	107.3560	0.002	2	106.9778	1.168	29	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]CC)	107.2890	0.028	2	107.2890	0.001	2	106.9778	1.168	29	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CRuCH)(CCHH)(H)	C[5](C[5]C[5]RuH)(C[5]N[5]O)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CRuCH)(CCHH)(H)	C[5](C[5]C[5]RuH)(C[5]N[5]O)(CCCH)(H){1|C<3>,1|O<1>}	H(CC[5]CC)	106.6783	0.393	3	106.6783	0.155	3	106.9778	1.168	29	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H){1|C<3>}	H(CC[5]CC)	99.5080	0.000	1	99.5080	0.000	1	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(CHHO)(H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)(CHHO)(H)	C[5](C[5]O[5]HH)(N[5]C[5]H)(CCCH)(H){1|O<1>}	H(CC[5]CC)	106.5720	0.000	1	106.5720	0.000	1	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)2(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)2(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H){2|C<4>,2|H<1>}	H(CC[5]CC)	109.0160	0.000	1	108.7355	0.157	2	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)2(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CCHH)2(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H){4|H<1>}	H(CC[5]CC)	108.4550	0.000	1	108.7355	0.157	2	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(CCCH)(H){2|C<4>,2|H<1>}	H(CC[5]CC)	107.3020	0.000	1	107.3020	0.000	1	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCCH)(H){1|O<1>,2|H<1>}	H(CC[5]CC)	106.8830	0.000	1	106.8830	0.000	1	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){4|H<1>}	H(CC[5]CC)	107.9435	1.094	2	107.9435	1.197	2	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CCCH)(H){1|C<4>,3|H<1>}	H(CC[5]CC)	107.2505	0.359	2	107.2505	0.129	2	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H){1|C<4>,3|H<1>}	H(CC[5]CC)	107.6720	0.440	4	107.6705	0.183	6	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H){4|H<1>}	H(CC[5]CC)	107.6675	0.579	2	107.6705	0.183	6	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CC)	107.1245	0.432	2	107.1245	0.187	2	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(CCCH)(H){1|H<1>,2|N<3>,4|C<3>}	H(CC[5]CC)	107.9685	1.275	2	107.9685	1.625	2	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[6a]2O[5])(N[5]B[5]C[6])(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[6a]2O[5])(N[5]B[5]C[6])(CCCH)(H){1|Ir<8>,1|N<3>,5|C<3>}	H(CC[5]CC)	108.0250	0.000	1	108.0250	0.000	1	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCCH)(H){1|O<1>,4|C<3>}	H(CC[5]CC)	106.6010	0.761	6	106.6010	0.579	6	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[6a]2O[5])(N[5]C[5]S)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[6a]2O[5])(N[5]C[5]S)(CCCH)(H){1|O<1>,4|C<3>}	H(CC[5]CC)	107.0410	0.000	1	107.0410	0.000	1	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(CCCH)(H){1|H<1>,2|C<3>}	H(CC[5]CC)	107.5330	0.000	1	107.5330	0.000	1	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[6a]N[5]H)(N[5]S[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[6a]N[5]H)(N[5]S[5]H)(CCCH)(H){1|H<1>,2|C<3>,2|O<1>}	H(CC[5]CC)	108.8190	0.000	1	108.8190	0.000	1	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(CCCH)(H){1|H<1>,1|O<1>}	H(CC[5]CC)	108.1920	0.000	1	108.1920	0.000	1	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|H<1>}	H(CC[5]CC)	106.9430	0.147	2	107.0993	0.084	3	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	H(CC[5]CC)	107.4120	0.000	1	107.0993	0.084	3	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]HH)(N[5]C[5]Co)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]HH)(N[5]C[5]Co)(CCCH)(H){2|C<3>}	H(CC[5]CC)	107.2913	0.265	3	107.2913	0.070	3	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CCCH)(H){1|C<3>,1|C<4>}	H(CC[5]CC)	107.1295	0.094	2	107.1212	0.059	6	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]HH)(N[5]C[5]Ni)(CCCH)(H){2|C<3>}	H(CC[5]CC)	107.1170	0.309	4	107.1212	0.059	6	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CCCH)(H){1|C<3>,1|C<4>}	H(CC[5]CC)	106.5370	0.000	1	107.4343	0.322	6	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]HH)(N[5]C[5]Pd)(CCCH)(H){2|C<3>}	H(CC[5]CC)	107.6138	0.402	5	107.4343	0.322	6	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H){1|O<1>}	H(CC[5]CC)	106.1711	1.420	10	106.1711	2.016	10	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5]Fe)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5]Fe)(CCCH)(H){1|C<3>}	H(CC[5]CC)	106.5290	0.000	1	106.5290	0.000	1	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5]Li)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5]Li)(CCCH)(H){1|C<4>}	H(CC[5]CC)	108.7455	0.135	2	108.7455	0.018	2	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5]Mn)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5]Mn)(CCCH)(H){1|B<4>}	H(CC[5]CC)	105.3353	0.349	3	105.3353	0.121	3	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5]P)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5]P)(CCCH)(H){1|O<1>}	H(CC[5]CC)	106.4335	1.401	2	106.4335	1.962	2	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5]Pd)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5]Pd)(CCCH)(H){1|C<3>}	H(CC[5]CC)	106.7950	0.178	2	107.3373	0.898	3	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5]Pd)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5]Pd)(CCCH)(H){1|C<4>}	H(CC[5]CC)	108.4220	0.000	1	107.3373	0.898	3	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5]Re)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5]Re)(CCCH)(H){1|B<4>}	H(CC[5]CC)	104.1390	1.944	3	104.1390	3.779	3	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5]Zn)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5]Zn)(CCCH)(H){1|B<4>}	H(CC[5]CC)	107.4743	0.242	6	107.4264	0.065	7	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5]Zn)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CC)(N[5]C[5]Zn)(CCCH)(H){1|C<3>}	H(CC[5]CC)	107.1390	0.000	1	107.4264	0.065	7	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCCH)(H){1|O<1>}	H(CC[5]CC)	107.5335	0.422	2	107.5335	0.178	2	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]2)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]2)(CCCH)(H){1|O<1>,2|C<3>}	H(CC[5]CC)	106.8850	0.000	1	106.8850	0.000	1	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Ag)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Ag)(CCCH)(H){1|C<3>}	H(CC[5]CC)	107.9333	0.921	4	107.9333	0.849	4	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Al)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Al)(CCCH)(H){1|C<3>}	H(CC[5]CC)	107.4076	0.112	5	107.4076	0.013	5	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCH)(H){1|O<1>}	H(CC[5]CC)	107.5148	0.308	19	107.5148	0.095	19	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Co)(CCCH)(H){1|C<3>}	H(CC[5]CC)	107.6257	0.509	22	107.6257	0.259	22	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Cr)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Cr)(CCCH)(H){1|C<3>}	H(CC[5]CC)	107.7392	0.212	4	107.4958	0.099	8	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Cr)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Cr)(CCCH)(H){1|C<4>}	H(CC[5]CC)	107.2523	0.170	4	107.4958	0.099	8	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H){1|C<3>}	H(CC[5]CC)	107.7564	1.163	17	107.7067	1.050	23	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H){1|C<4>}	H(CC[5]CC)	107.8383	0.365	4	107.7067	1.050	23	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Cu)(CCCH)(H){1|N<3>}	H(CC[5]CC)	107.0215	0.070	2	107.7067	1.050	23	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Dy)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Dy)(CCCH)(H){1|C<4>}	H(CC[5]CC)	107.8740	0.000	1	107.8740	0.000	1	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Fe)(CCCH)(H){1|C<3>}	H(CC[5]CC)	107.6912	0.989	18	107.6912	0.978	18	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H){1|C<3>}	H(CC[5]CC)	107.2234	0.664	10	107.2608	0.413	11	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Ir)(CCCH)(H){1|C<4>}	H(CC[5]CC)	107.6350	0.000	1	107.2608	0.413	11	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Mn)(CCCH)(H){1|B<4>}	H(CC[5]CC)	107.4053	0.266	3	107.4053	0.071	3	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Mo)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Mo)(CCCH)(H){1|C<3>}	H(CC[5]CC)	107.7760	0.000	1	107.7760	0.000	1	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]N)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]N)(CCCH)(H){1|O<1>}	H(CC[5]CC)	108.4120	0.000	1	108.4120	0.000	1	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H){1|C<3>}	H(CC[5]CC)	106.8218	1.550	29	106.8481	1.980	51	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Ni)(CCCH)(H){1|C<4>}	H(CC[5]CC)	106.8828	1.229	22	106.8481	1.980	51	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H){1|C<3>}	H(CC[5]CC)	107.4069	0.293	13	107.5387	0.548	33	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H){1|C<4>}	H(CC[5]CC)	107.5887	0.966	18	107.5387	0.548	33	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Pd)(CCCH)(H){1|N<3>}	H(CC[5]CC)	107.9450	0.253	2	107.5387	0.548	33	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Pt)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Pt)(CCCH)(H){1|C<4>}	H(CC[5]CC)	107.5580	0.000	1	107.5580	0.000	1	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Re)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Re)(CCCH)(H){1|B<4>}	H(CC[5]CC)	107.6635	0.059	2	107.6635	0.003	2	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H){1|C<3>}	H(CC[5]CC)	107.1198	0.391	6	107.3088	0.192	9	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Rh)(CCCH)(H){1|C<4>}	H(CC[5]CC)	107.6867	0.257	3	107.3088	0.192	9	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CCCH)(H){1|C<3>}	H(CC[5]CC)	107.1962	0.520	5	107.4069	0.267	8	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Ru)(CCCH)(H){1|C<4>}	H(CC[5]CC)	107.7580	0.312	3	107.4069	0.267	8	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCCH)(H){1|C<4>,1|H<1>}	H(CC[5]CC)	108.0240	0.689	2	108.0240	0.474	2	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Sn)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Sn)(CCCH)(H){1|C<3>}	H(CC[5]CC)	108.5980	0.000	1	108.5980	0.000	1	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H){1|C<3>}	H(CC[5]CC)	107.4847	0.479	7	107.4548	0.207	9	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]O[5]HH)(N[5]C[5]Zn)(CCCH)(H){1|N<2>}	H(CC[5]CC)	107.3500	0.499	2	107.4548	0.207	9	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H){1|O<1>}	H(CC[5]CC)	107.1120	0.000	1	107.4450	0.673	7	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCCH)(H){1|S<1>}	H(CC[5]CC)	107.5005	0.884	6	107.4450	0.673	7	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]S[5]HH)(N[5]C[5]Co)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]S[5]HH)(N[5]C[5]Co)(CCCH)(H){1|C<3>}	H(CC[5]CC)	107.1877	0.300	3	107.1877	0.090	3	107.2908	1.191	325	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C-4:S-4:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5,5]N[5]H)(CC[6a]HH)(SC[6a]OO)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CCHS)(H)	H(CC[5]CS)	C(C[5]C[5,5]N[5]H)(CC[6a]HH)(SC[6a]OO)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CCHS)(H){1|C<4>,1|O<2>,3|H<1>}	H(CC[5]CS)	111.3900	0.000	1	111.3900	0.000	1	111.3900	0.000	1	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]2H)2(CH3)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]CH)(H)	H(CC[5]2C)	C(C[5]C[5]2H)2(CH3)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]CH)(H){2|C<3>}	H(CC[5]2C)	107.8160	0.000	1	107.8160	0.000	1	107.8160	0.000	1	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:1:	4:	C[5]-4:S-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(SC[6a]NO)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCHS)(H)	H(CC[5]CS)	C(C[5]C[5]N[5]H)(SC[6a]NO)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCHS)(H){1|C<3>,1|O<2>,2|H<1>}	H(CC[5]CS)	107.3620	0.000	1	107.3620	0.000	1	107.3620	0.000	1	107.2954	1.210	374	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:2:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-2:	C-4:	C(C[5]C[5]2C)(CH3)2(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N)(CCCH)(CN)	H(CC[5]CC)	C(C[5]C[5]2C)(CH3)2(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N)(CCCH)(CN){3|C<3>}	H(CC[5]CC)	106.8120	0.000	1	106.8120	0.000	1	106.8120	0.000	1	106.5100	1.940	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:2:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(OH)	H(CC[5]CC)	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(OH){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]CC)	104.9910	0.000	1	104.9910	0.000	1	106.3590	3.743	2	106.5100	1.940	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:2:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(OH)	H(CC[5]CC)	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(OH){3|H<1>}	H(CC[5]CC)	107.7270	0.000	1	107.7270	0.000	1	106.3590	3.743	2	106.5100	1.940	3	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:3:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(CC[3]HH)(CH3)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]H)(CCCH)(CCO)	H(CC[5]CC)	C(C[5]C[5,5]C[5]C)(CC[3]HH)(CH3)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]H)(CCCH)(CCO){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]CC)	106.1790	0.000	1	106.1790	0.000	1	106.1475	0.002	2	106.8744	0.686	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:3:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5,5]C[5]C)(CC[3]HH)(CH3)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(CCCH)(CCO)	H(CC[5]CC)	C(C[5]C[5,5]C[5]C)(CC[3]HH)(CH3)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(CCCH)(CCO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(CC[5]CC)	106.1160	0.000	1	106.1160	0.000	1	106.1475	0.002	2	106.8744	0.686	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:3:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CCHH)(CH3)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(COO)	H(CC[5]CC)	C(C[5]C[5]2C)(CCHH)(CH3)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(COO){2|C<3>}	H(CC[5]CC)	107.8250	0.000	1	107.8250	0.000	1	106.7207	0.916	3	106.8744	0.686	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:3:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(CC[3]HH)(CH3)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH)(CCO)	H(CC[5]CC)	C(C[5]C[5]2C)(CC[3]HH)(CH3)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH)(CCO){1|C<4>,1|H<1>,1|O<2>}	H(CC[5]CC)	106.1685	0.054	2	106.1685	0.003	2	106.7207	0.916	3	106.8744	0.686	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:3:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(CCCH)(COO)	H(CC[5]CC)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(CCCH)(COO){1|C<3>,1|O<1>}	H(CC[5]CC)	107.9940	0.000	1	107.9940	0.000	1	107.9940	0.000	1	106.8744	0.686	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:3:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:C-4:N-3:	C-4:	C(C[5]C[5]N[5]N)(CCHH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(NCH)	H(CC[5]CC)	C(C[5]C[5]N[5]N)(CCHH)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(NCH){1|O<1>,2|H<1>}	H(CC[5]CC)	107.6410	0.000	1	107.6410	0.000	1	107.6410	0.000	1	106.8744	0.686	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:3:4:3:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:C-3:	C-4:	C(C[5]C[5]2C)(C[5]O[5]2C)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]CH)(COO)	H(CC[5]2C)	C(C[5]C[5]2C)(C[5]O[5]2C)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]CH)(COO){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]2C)	106.9030	0.000	1	106.9030	0.000	1	106.9030	0.000	1	106.8744	0.686	8	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[3]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]CH)(H)	H(CC[3]C[5]C)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[3]CH)(H){2|H<1>}	H(CC[3]C[5]C)	108.7955	0.265	2	108.7955	0.070	2	108.7955	0.070	2	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[3,5]-4:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5,5]H)(CH3)2(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]C[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[3,5]C[5,5]H)(CH3)2(H)	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,5]C[3x5]C[5]H)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5]CC)	106.5470	0.000	1	106.5470	0.000	1	106.3095	0.113	2	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[3,5]-4:C[5,5]-4:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5,5]H)(CH3)2(H)	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5,5]C[5]H)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[3,5]C[5,5]H)(CH3)2(H)	C[5](C[3,5]C[3,5]O[3]H)(C[5,5]C[5,5]C[5]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]CC)	106.0720	0.000	1	106.0720	0.000	1	106.3095	0.113	2	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	C[5](C[3,5]C[3,5]C[3]O[3])(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	C[5](C[3,5]C[3,5]C[3]O[3])(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,3|H<1>}	H(CC[5]CC)	105.5000	0.000	1	105.5000	0.000	1	106.3997	0.444	4	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)(H)	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,3|H<1>}	H(CC[5]CC)	106.6997	0.354	3	106.6997	0.126	3	106.3997	0.444	4	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[3x5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[3x5]C[5]H)(CH3)2(H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CC)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[3x5]C[5]H)(CH3)2(H)	C[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CC)(CCCH)(H){2|C<4>,2|O<2>,5|H<1>}	H(CC[5]CC)	108.0900	0.000	1	108.0900	0.000	1	108.0900	0.000	1	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5,6,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6,6]C[5]H)(CH3)2(H)	C[5](C[5,5,6,6]C[3x5,6,6]C[5,5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5,6,6]C[5]H)(CH3)2(H)	C[5](C[5,5,6,6]C[3x5,6,6]C[5,5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<4>}	H(CC[5]CC)	107.4300	0.000	1	107.4300	0.000	1	107.4300	0.000	1	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5,6]C[5]H)(CH3)2(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5,6]C[5]H)(CH3)2(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(H){3|C<4>,4|O<2>}	H(CC[5]CC)	107.0730	0.000	1	107.0730	0.000	1	107.0730	0.000	1	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CC)(CCCH)(H){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	H(CC[5]CC)	107.1150	0.000	1	107.1150	0.000	1	108.1230	0.351	5	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CH3)2(H)	C[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5]C[5]H)(CH3)2(H)	C[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>,3|C<4>}	H(CC[5]CC)	108.0580	0.000	1	108.0580	0.000	1	108.1230	0.351	5	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CH3)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5]C[5]H)(CH3)2(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(CC[5]CC)	108.4600	0.000	1	108.4600	0.000	1	108.1230	0.351	5	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CH3)2(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HN)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5]C[5]H)(CH3)2(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HN)(CCCH)(H){1|O<1>,1|S<4>,2|C<3>}	H(CC[5]CC)	108.4810	0.000	1	108.4810	0.000	1	108.1230	0.351	5	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,5]C[5]H)(CH3)2(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,5]C[5]H)(CH3)2(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]CH)(CCCH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(CC[5]CC)	108.5010	0.000	1	108.5010	0.000	1	108.1230	0.351	5	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6,6]C[5]H)(CH3)2(H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6,6]C[5]H)(CH3)2(H)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(CC[5]CC)	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]CC)	107.7683	0.573	3	107.7683	0.329	3	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(CC[5]CC)	107.7220	0.000	1	107.6416	1.181	288	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,4|H<1>}	H(CC[5]CC)	107.5760	0.000	1	107.6416	1.181	288	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	H(CC[5]CC)	107.6548	0.490	10	107.6416	1.181	288	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]CC)	107.4825	0.162	2	107.6416	1.181	288	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]CC)	107.8348	1.082	13	107.6416	1.181	288	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]CC)	107.2660	0.000	1	107.6416	1.181	288	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	H(CC[5]CC)	107.3780	0.000	1	107.6416	1.181	288	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|N<3>,2|C<4>,4|H<1>}	H(CC[5]CC)	107.8280	0.000	2	107.6416	1.181	288	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<4>,3|H<1>}	H(CC[5]CC)	107.6003	0.691	7	107.6416	1.181	288	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]CC)	107.4962	1.562	116	107.6416	1.181	288	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]CC)	106.7250	0.000	1	107.6416	1.181	288	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,4|H<1>}	H(CC[5]CC)	107.3380	0.000	1	107.6416	1.181	288	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	H(CC[5]CC)	107.7461	0.486	120	107.6416	1.181	288	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	H(CC[5]CC)	107.9542	0.628	12	107.6416	1.181	288	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]CC)	107.4590	0.000	1	107.9380	0.459	2	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]CC)	108.4170	0.000	1	107.9380	0.459	2	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[5]CC)	105.3100	0.000	1	105.3100	0.000	1	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHH)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHH)(CHHO)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	H(CC[5]CC)	107.3650	0.000	1	107.3650	0.000	1	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]CC)	106.3130	0.000	1	107.0018	0.438	5	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	H(CC[5]CC)	107.5980	0.000	1	107.0018	0.438	5	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<4>,3|H<1>}	H(CC[5]CC)	107.6470	0.000	1	107.0018	0.438	5	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	H(CC[5]CC)	106.3050	0.000	1	107.0018	0.438	5	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	H(CC[5]CC)	107.1460	0.000	1	107.0018	0.438	5	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CCHO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCCH)(H){3|C<4>,4|H<1>}	H(CC[5]CC)	108.0980	0.000	1	108.0980	0.000	1	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[5]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]CC)	108.6340	0.000	1	108.6340	0.000	1	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[6]HH)(CHHO)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CC[6]HH)(CHHO)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(CCCH)(H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]CC)	106.2030	0.000	1	106.2030	0.000	1	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CC[6]HO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CC[6]HO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	H(CC[5]CC)	107.5100	0.079	2	107.5100	0.006	2	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(CC[5]CC)	107.6610	0.000	1	107.6610	0.000	1	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(CCCH)(H){3|C<4>,7|H<1>}	H(CC[5]CC)	107.0430	0.000	1	107.0430	0.000	1	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	H(CC[5]CC)	107.8980	0.000	1	107.7900	0.236	9	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	H(CC[5]CC)	107.7765	0.517	8	107.7900	0.236	9	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>,3|C<4>}	H(CC[5]CC)	107.3630	0.000	1	108.8917	3.401	3	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCCH)(H){3|C<4>,4|H<1>}	H(CC[5]CC)	109.6560	1.816	2	108.8917	3.401	3	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]CC)	108.2960	0.000	1	108.2960	0.000	1	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]CC)	107.9300	0.314	2	107.9300	0.099	2	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	H(CC[5]CC)	108.7200	0.000	1	108.7200	0.000	1	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CCCH)(H){1|C<4>,1|H<1>,2|O<1>,2|O<2>}	H(CC[5]CC)	108.2833	0.146	3	108.2833	0.021	3	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]HN)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5,6,6]HN)(CCCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[5]CC)	108.3930	0.000	1	108.3930	0.000	1	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CHHI)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CHHI)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	H(CC[5]CC)	106.3120	0.000	1	106.3120	0.000	1	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CHHO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	H(CC[5]CC)	108.3257	0.169	3	108.3257	0.028	3	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CHOO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5,6]C[5]H)(CHOO)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(H){2|C<4>,5|H<1>}	H(CC[5]CC)	107.2935	0.508	2	107.2935	0.258	2	107.6549	1.127	333	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5,6]CC)(C[5]C[5]HH)(CCCH)(H){2|H<1>,2|O<2>}	H(CC[5]CC)	106.2070	0.000	1	106.2070	0.000	1	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){2|C<4>,2|H<1>}	H(CC[5]CC)	107.3243	1.219	3	107.3243	1.485	3	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(CC[5]CC)	107.9650	0.000	1	107.6938	0.300	5	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H){1|C<4>,3|H<1>}	H(CC[5]CC)	107.6260	0.608	4	107.6938	0.300	5	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HO)(CCCH)(H){1|C<3>,1|H<1>}	H(CC[5]CC)	106.8590	0.000	1	106.8590	0.000	1	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){1|C<4>,3|H<1>}	H(CC[5]CC)	107.5990	0.000	1	107.5990	0.000	1	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CCHO)(CH3)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CCHO)(CH3)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	H(CC[5]CC)	106.3800	0.130	2	106.3800	0.017	2	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>}	H(CC[5]CC)	108.2530	0.563	2	108.1663	0.181	3	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|O<2>,3|H<1>}	H(CC[5]CC)	107.9930	0.000	1	108.1663	0.181	3	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H){1|O<2>,3|H<1>}	H(CC[5]CC)	107.5275	0.426	2	107.5275	0.182	2	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[3,5]CC)(C[5]C[3,5]HH)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(CC[5]CC)	108.0300	0.000	1	108.0300	0.000	1	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCCH)(H){1|C<3>,1|H<1>,2|C<4>}	H(CC[5]CC)	106.8730	0.000	1	106.8730	0.000	1	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[5]CC)	107.3990	0.414	2	107.3990	0.172	2	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]2H)(C[5]O[5]HO)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]2H)(C[5]O[5]HO)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	H(CC[5]CC)	107.3840	0.000	1	107.3840	0.000	1	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>}	H(CC[5]CC)	106.1990	0.000	1	106.1990	0.000	1	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|O<1>}	H(CC[5]CC)	108.4875	1.126	2	108.0733	0.378	6	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CC)	107.7620	0.000	1	108.0733	0.378	6	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|H<1>}	H(CC[5]CC)	107.9940	0.000	1	108.0733	0.378	6	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|H<1>}	H(CC[5]CC)	107.8545	0.284	2	108.0733	0.378	6	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]HN)(CCCH)(H){1|C<4>,3|H<1>}	H(CC[5]CC)	107.9195	0.630	2	107.9195	0.397	2	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]HO)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CC)	107.8220	0.000	1	107.8220	0.000	1	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CCCH)(H){1|O<1>,2|C<4>}	H(CC[5]CC)	105.8170	0.000	1	105.8170	0.000	1	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){2|C<4>,2|H<1>}	H(CC[5]CC)	108.6180	0.000	1	108.6180	0.000	1	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CH)2(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CH)2(CCCH)(H){1|O<1>,2|H<1>}	H(CC[5]CC)	105.5080	0.000	1	105.5080	0.000	1	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CO)(C[5]O[5]CH)(CCCH)(H){1|O<1>}	H(CC[5]CC)	107.1850	0.000	1	107.1850	0.000	1	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CCCH)(H){1|Si<4>,1|C<3>,1|H<1>}	H(CC[5]CC)	107.7390	0.000	1	107.7390	0.000	1	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CCCH)(H){1|C<4>,3|H<1>}	H(CC[5]CC)	107.8840	0.000	1	107.8840	0.000	1	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	H(CC[5]CC)	108.1685	0.250	2	108.1685	0.062	2	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(CH3)(H)	C[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CHHO)(CH3)(H)	C[5](C[5]C[4,5,6]HH)(C[5]C[4,5]HH)(CCCH)(H){1|O<2>,3|C<4>}	H(CC[5]CC)	107.7805	0.364	2	107.7805	0.133	2	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CHHO)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]CC)	108.0500	0.000	1	108.0500	0.000	1	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CHHO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)(H){4|H<1>}	H(CC[5]CC)	108.6490	0.000	1	108.6490	0.000	1	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CHHO)(CH3)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CHHO)(CH3)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CCCH)(H){2|C<4>,2|H<1>}	H(CC[5]CC)	107.1410	0.000	1	107.1410	0.000	1	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(CN[5]HH)(CHHO)(H)	C[5](C[5]C[5]HH)2(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]2H)(CN[5]HH)(CHHO)(H)	C[5](C[5]C[5]HH)2(CCCH)(H){4|H<1>}	H(CC[5]CC)	108.0240	0.318	2	108.0240	0.101	2	107.5696	0.638	48	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]C[5]PdH)(C[5]O[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]C[5]PdH)(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|H<1>}	H(CC[5]CC)	107.2970	0.000	1	107.2970	0.000	1	107.2970	0.000	1	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(CH3)2(H)	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]P[5]H)(CH3)2(H)	C[5](P[5]C[5]2Pt)(C[5]C[5]HH)(CCCH)(H){1|Fe<10>,3|C<4>,3|H<1>}	H(CC[5]CC)	108.0226	0.613	7	108.0226	0.376	7	108.0366	0.609	18	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(CH3)2(H)	C[5](P[5]C[6a]C[5]Ir)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]P[5]H)(CH3)2(H)	C[5](P[5]C[6a]C[5]Ir)(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]CC)	108.6140	0.316	4	108.6140	0.100	4	108.0366	0.609	18	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(CH3)2(H)	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]P[5]H)(CH3)2(H)	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]CC)	107.6897	1.070	6	107.7206	0.961	7	108.0366	0.609	18	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C-4:C-4:H-1:	P[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]P[5]H)(CH3)2(H)	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CCCH)(H)	H(CC[5]CC)	C(C[5]C[5]P[5]H)(CH3)2(H)	C[5](P[5]C[6a]C[5]Pt)(C[5]C[5]HH)(CCCH)(H){3|C<3>,3|H<1>}	H(CC[5]CC)	107.9060	0.000	1	107.7206	0.961	7	108.0366	0.609	18	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[3]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[3]C[3]O[3]H)(CH3)(H)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H)	H(CC[3]C[5]C)	C(C[5]C[5,6]C[5]H)(C[3]C[3]O[3]H)(CH3)(H)	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H){1|O<2>,2|C<4>,4|H<1>}	H(CC[3]C[5]C)	108.3830	0.000	1	108.3830	0.000	1	108.5710	0.071	2	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[3]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[3]C[3]O[3]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H)	H(CC[3]C[5]C)	C(C[5]C[5,6]C[5]H)(C[3]C[3]O[3]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[3]CH)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[3]C[5]C)	108.7590	0.000	1	108.7590	0.000	1	108.5710	0.071	2	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H)	H(CC[5]2C)	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H){1|C<3>,1|C<4>,5|H<1>}	H(CC[5]2C)	107.3050	0.000	1	107.4260	0.029	2	107.4260	0.029	2	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H)	H(CC[5]2C)	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	H(CC[5]2C)	107.5470	0.000	1	107.4260	0.029	2	107.4260	0.029	2	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H)	H(CC[5]C[6]C)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]C[6]C)	108.9450	0.000	1	107.7958	0.818	5	107.7958	0.818	5	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H)	H(CC[5]C[6]C)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6]H)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6]CH)(H){2|C<4>,5|H<1>}	H(CC[5]C[6]C)	107.5085	0.735	4	107.7958	0.818	5	107.7958	0.818	5	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:1:	4:	C[5]-4:Si-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]2H)(SiC[6a]CC)(CCHH)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(CSiCH)(H)	H(CC[5]SiC)	C(C[5]C[5]2H)(SiC[6a]CC)(CCHH)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(CSiCH)(H){1|H<1>,3|C<4>}	H(CC[5]SiC)	108.7760	0.000	1	108.7760	0.000	1	108.7760	0.000	1	107.6617	1.037	427	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C-4:C-4:H-1:	C[3,5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[3,5]C[5]O)(CCHH)(CH3)(H)	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]HH)(CCCH)(OH)	H(CC[5]CC)	C(C[5]C[3,5]C[5]O)(CCHH)(CH3)(H)	C[5](C[3,5]C[3,5]C[5]O[3])(C[5]C[5]HH)(CCCH)(OH){1|C<3>,1|H<1>,3|C<4>}	H(CC[5]CC)	106.6190	0.000	1	106.6190	0.000	1	106.6190	0.000	1	107.0553	0.400	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5,6]C[5]O)(CH3)2(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH)	H(CC[5]CC)	C(C[5]C[5,5,6]C[5]O)(CH3)2(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH){1|H<1>,3|C<4>,3|O<2>}	H(CC[5]CC)	107.3200	0.000	1	107.5100	0.072	2	107.5100	0.072	2	107.0553	0.400	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,5,6]C[5]O)(CH3)2(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH)	H(CC[5]CC)	C(C[5]C[5,5,6]C[5]O)(CH3)2(H)	C[5](C[5,5,6]C[3x5,6]C[5,6,6]C)(C[5]C[5,5,6]HO)(CCCH)(OH){3|C<4>,4|O<2>}	H(CC[5]CC)	107.7000	0.000	1	107.5100	0.072	2	107.5100	0.072	2	107.0553	0.400	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5,6]C[5]O)(CC[5]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(OH)	H(CC[5]CC)	C(C[5]C[5,6]C[5]O)(CC[5]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCCH)(OH){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]CC)	107.4460	0.000	1	107.4460	0.000	1	107.4460	0.000	1	107.0553	0.400	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(OH)	H(CC[5]CC)	C(C[5]C[5]2O)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CCCH)(OH){1|O<1>,2|H<1>}	H(CC[5]CC)	106.3990	0.000	1	106.3990	0.000	1	106.3015	0.019	2	107.0553	0.400	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(CC[6a]CH)(CH3)(H)	C[5](C[5]C[5]CH)2(CCCH)(OH)	H(CC[5]CC)	C(C[5]C[5]2O)(CC[6a]CH)(CH3)(H)	C[5](C[5]C[5]CH)2(CCCH)(OH){4|H<1>}	H(CC[5]CC)	106.2040	0.000	1	106.2040	0.000	1	106.3015	0.019	2	107.0553	0.400	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:2:	4:	C[5]-4:C[6]-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:O-2:	C-4:	C(C[5]C[5]2O)(C[6]C[6]2H)(CH3)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CH)(OH)	H(CC[5]C[6]C)	C(C[5]C[5]2O)(C[6]C[6]2H)(CH3)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6]CH)(OH){1|O<1>,2|C<4>}	H(CC[5]C[6]C)	107.6990	0.000	1	107.6990	0.000	1	107.6990	0.000	1	107.0553	0.400	7	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:3:	4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-3:	C-4:	C(C[5]C[5,6]C[5]C)(CC[3]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(COO)	H(CC[5]CC)	C(C[5]C[5,6]C[5]C)(CC[3]HH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]HH)(CCCH)(COO){1|C<3>,2|C<4>,2|H<1>}	H(CC[5]CC)	106.9770	0.020	2	106.9770	0.000	2	106.9770	0.000	2	106.9770	0.000	2	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C-4:	C(C[5]C[5]2C)(CCCH)(CH3)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(CH3)	H(CC[5]CC)	C(C[5]C[5]2C)(CCCH)(CH3)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCCH)(CH3){1|C<3>,2|H<1>}	H(CC[5]CC)	105.5550	0.000	1	105.5550	0.000	1	105.5550	0.000	1	105.5550	0.000	1	109.2435	1.167	42930	109.2881	1.177	56854
490	474	951	0:SP3_SP-NON_SP3	C	C[5]	H	4:5:1:1:	4:4:4:1:	4:	C[5]-4:O-5:H-1:H-1:	N[5]-4:C[5]-4:C-4:H-1:	C-4:	C(C[5]C[5]N[5]H)(OLi4)(H)2	C[5](N[5]C[5]LiC)(C[5]C[5]HH)(CHHO)(H)	H(CC[5]HO)	C(C[5]C[5]N[5]H)(OLi4)(H)2	C[5](N[5]C[5]LiC)(C[5]C[5]HH)(CHHO)(H){4|H<1>}	H(CC[5]HO)	108.8926	0.101	5	108.8926	0.010	5	108.8926	0.010	5	108.8926	0.010	5	109.2435	1.167	42930	109.2881	1.177	56854